Cyclohexanol, 4-[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-5-[4-[(4-methyl-1-...
C32H34F6N6O
3051784-94-9 Copyright (C) 2025 ACS
 45 50  0  0  0  0  0  0  0  0999 V2000
    6.1600    8.5034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7598    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8642   12.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600   13.8381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4936   13.0681    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300   15.1718    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8264   14.6081    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400   11.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    9.6309    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.1709    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400   12.7109    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   22.7227   10.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    7.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7800    8.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0406    6.0253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    7.1698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2864    8.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    9.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4474    6.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    8.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    9.8371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7202    4.5190    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8648    3.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2557    4.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5446    1.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9355    2.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4308    9.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1106   10.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8955    8.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2550   11.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0399    9.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7197   11.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    9.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600   11.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    9.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900   12.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800   11.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   12.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3288   11.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4733   12.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6489   10.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9378   12.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1136    9.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2580   10.8775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 34  1  0  0  0  0
 27  2  1  6  0  0  0
  3 33  1  0  0  0  0
  3 40  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 38  1  0  0  0  0
 12 45  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 22 15  1  1  0  0  0
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 17 19  2  0  0  0  0
 17 28  1  0  0  0  0
 18 21  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  2  0  0  0  0
 37 39  2  0  0  0  0
 38 39  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 41 43  1  0  0  0  0
 42 44  1  0  0  0  0
 43 45  1  0  0  0  0
 44 45  1  0  0  0  0
M  END
> <cas.rn>
3051784-94-9

> <cas.index.name>
Cyclohexanol, 4-[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-5-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-, trans-

> <molecular.formula>
C32H34F6N6O

> <molecular.weight>
632.64

> <boiling.point.predicted>
694.100±65.00 °C    Press: 760.00 Torr

> <density.predicted>
1.417±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

$$$$
