[4-[(3-Cyclohexyl-1H-1,2,4-triazol-1-yl)sulfonyl]phenyl][4-(2-methoxyphenyl)-...
C26H31N5O4S
2851993-77-4 Copyright (C) 2025 ACS
 36 40  0  0  0  0  0  0  0  0999 V2000
   13.3369    4.6200    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
   12.5669    5.9537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1069    3.2864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1079    5.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0775    4.7635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3379    7.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6705    5.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8315    6.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6394    5.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2659    4.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5447    6.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7974    4.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0762    6.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7027    5.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    3.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1 11  1  0  0  0  0
  1 19  1  0  0  0  0
  4  5  2  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
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 35 36  1  0  0  0  0
M  END
> <cas.rn>
2851993-77-4

> <cas.index.name>
Methanone, [4-[(3-cyclohexyl-1H-1,2,4-triazol-1-yl)sulfonyl]phenyl][4-(2-methoxyphenyl)-1-piperazinyl]-

> <molecular.formula>
C26H31N5O4S

> <molecular.weight>
509.62

> <boiling.point.predicted>
745.069±70.00 °C    Press: 760.00 Torr

> <density.predicted>
1.366±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
1.759±0.10    Most Basic Temp: 25 °C

$$$$
