2-[[4-[6-[(4-Cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluoro-5-methylphen...
C33H26F2N4O4
2572566-11-9 Copyright (C) 2025 ACS
 43 48  0  0  1  0  0  0  0  0999 V2000
    5.3304    1.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3912    3.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    5.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0585    1.6709    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0585    7.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7272    5.5210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0608    6.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7282    7.8311    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   24.3957    3.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7293    2.4410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6505    3.3545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    4.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0575    3.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    5.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    4.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8964    5.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    7.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    5.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    7.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8656    1.3723    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4935    2.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1666    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7944    0.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7249    3.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0585    3.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7249    5.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    3.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0585    6.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    5.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7260    6.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0597    5.5210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7260    7.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933    6.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0597    8.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933    7.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3945    5.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7282    6.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3945    3.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0620    5.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7282    3.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0620    3.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
 22  1  1  1  0  0  0
  2 15  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 20  1  0  0  0  0
  6 27  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  9 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  3  0  0  0  0
 11 43  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
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 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 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  2  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 37  2  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 39 41  1  0  0  0  0
 40 42  2  0  0  0  0
 41 43  2  0  0  0  0
 42 43  1  0  0  0  0
M  END
> <cas.rn>
2572566-11-9

> <cas.index.name>
1H-Benzimidazole-6-carboxylic acid, 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluoro-5-methylphenyl]methyl]-1-[(2S)-2-oxetanylmethyl]-

> <molecular.formula>
C33H26F2N4O4

> <molecular.weight>
580.58

> <boiling.point.predicted>
792.104±60.00 °C    Press: 760.00 Torr

> <density.predicted>
1.379±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
3.344±0.30    Most Acidic Temp: 25 °C

$$$$
