4-[2-(Difluoromethyl)-1H-benzimidazol-1-yl]-N-[1,1-dimethyl-2-[2-(1-methyl-4-...
C31H38F2N8O
1401436-95-0 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  42 47 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 11.0752 10.2623 0.0 0
M  V30 2 F 11.3953 11.7686 0.0 0
M  V30 3 F 9.6106 9.7865 0.0 0
M  V30 4 N 6.7238 7.7002 0.0 0
M  V30 5 C 5.3901 6.9302 0.0 0
M  V30 6 C 4.6201 8.2638 0.0 0
M  V30 7 C 6.1601 5.5965 0.0 0
M  V30 8 C 4.0564 6.1601 0.0 0
M  V30 9 C 5.3901 14.9325 0.0 0
M  V30 10 N 12.0586 7.7002 0.0 0
M  V30 11 C 13.4656 7.0738 0.0 0
M  V30 12 C 12.2197 9.2317 0.0 0
M  V30 13 C 14.4960 8.2182 0.0 0
M  V30 14 C 13.9415 5.6091 0.0 0
M  V30 15 N 13.7260 9.5521 0.0 0
M  V30 16 C 16.0025 7.8981 0.0 0
M  V30 17 C 15.4479 5.2889 0.0 0
M  V30 18 C 16.4784 6.4335 0.0 0
M  V30 19 C 10.7249 6.9302 0.0 0
M  V30 20 N 10.7249 5.3901 0.0 0
M  V30 21 N 9.3913 7.7002 0.0 0
M  V30 22 C 9.3913 4.6201 0.0 0
M  V30 23 C 8.0576 6.9302 0.0 0
M  V30 24 N 8.0576 5.3901 0.0 0
M  V30 25 N 9.3913 3.0801 0.0 0
M  V30 26 C 8.0576 2.3101 0.0 0
M  V30 27 C 10.7249 2.3101 0.0 0
M  V30 28 C 8.0576 0.7700 0.0 0
M  V30 29 C 10.7249 0.7700 0.0 0
M  V30 30 O 9.3913 0.0000 0.0 0
M  V30 31 C 3.0801 8.2638 0.0 0
M  V30 32 C 2.3101 9.5976 0.0 0
M  V30 33 C 2.3101 6.9302 0.0 0
M  V30 34 C 0.7700 9.5976 0.0 0
M  V30 35 C 0.7700 6.9302 0.0 0
M  V30 36 C 0.0000 8.2638 0.0 0
M  V30 37 C 3.0801 10.9313 0.0 0
M  V30 38 C 4.6201 10.9313 0.0 0
M  V30 39 C 2.3101 12.2650 0.0 0
M  V30 40 C 5.3901 12.2650 0.0 0
M  V30 41 C 3.0801 13.5988 0.0 0
M  V30 42 N 4.6201 13.5988 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 1 12
M  V30 4 1 4 5
M  V30 5 1 4 23
M  V30 6 1 5 6
M  V30 7 1 5 7
M  V30 8 1 5 8
M  V30 9 1 6 31
M  V30 10 1 9 42
M  V30 11 1 10 11
M  V30 12 1 10 12
M  V30 13 1 10 19
M  V30 14 1 11 13
M  V30 15 2 11 14
M  V30 16 2 12 15
M  V30 17 1 13 15
M  V30 18 2 13 16
M  V30 19 1 14 17
M  V30 20 1 16 18
M  V30 21 2 17 18
M  V30 22 1 19 20
M  V30 23 2 19 21
M  V30 24 2 20 22
M  V30 25 1 21 23
M  V30 26 1 22 24
M  V30 27 1 22 25
M  V30 28 2 23 24
M  V30 29 1 25 26
M  V30 30 1 25 27
M  V30 31 1 26 28
M  V30 32 1 27 29
M  V30 33 1 28 30
M  V30 34 1 29 30
M  V30 35 2 31 32
M  V30 36 1 31 33
M  V30 37 1 32 34
M  V30 38 1 32 37
M  V30 39 2 33 35
M  V30 40 2 34 36
M  V30 41 1 35 36
M  V30 42 1 37 38
M  V30 43 1 37 39
M  V30 44 1 38 40
M  V30 45 1 39 41
M  V30 46 1 40 42
M  V30 47 1 41 42
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1401436-95-0

> <cas.index.name>
1,3,5-Triazin-2-amine, 4-[2-(difluoromethyl)-1H-benzimidazol-1-yl]-N-[1,1-dimethyl-2-[2-(1-methyl-4-piperidinyl)phenyl]ethyl]-6-(4-morpholinyl)-

> <molecular.formula>
C31H38F2N8O

> <molecular.weight>
576.68

> <boiling.point.predicted>
729.2±70.0 °C    Press: 760 Torr

> <density.predicted>
1.33±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
8.97±0.20    Most Basic Temp: 25 °C

$$$$
