4-[[(2E)-4-(Dimethylamino)-1-oxo-2-buten-1-yl]amino]-N-[3-[[6-(1H-indol-3-yl)...
C31H29N7O2
2058075-45-7 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  40 44 0 0 0
M  V30 BEGIN ATOM
M  V30 1 N 9.7545 3.0800 0.0 0
M  V30 2 N 15.0892 3.0800 0.0 0
M  V30 3 C 16.4229 2.3100 0.0 0
M  V30 4 O 16.4229 0.7700 0.0 0
M  V30 5 N 21.7577 5.3901 0.0 0
M  V30 6 C 23.0913 4.6201 0.0 0
M  V30 7 C 24.4251 5.3901 0.0 0
M  V30 8 O 23.0913 3.0800 0.0 0
M  V30 9 C 25.7588 4.6201 0.0 0
M  V30 10 C 27.0924 5.3901 0.0 0
M  V30 11 N 28.4261 4.6201 0.0 0
M  V30 12 C 29.7599 5.3901 0.0 0
M  V30 13 C 28.4261 3.0800 0.0 0
M  V30 14 C 4.4197 3.0800 0.0 0
M  V30 15 C 3.0127 2.4537 0.0 0
M  V30 16 C 4.2588 4.6116 0.0 0
M  V30 17 C 1.9823 3.5981 0.0 0
M  V30 18 C 2.5369 0.9890 0.0 0
M  V30 19 N 2.7523 4.9317 0.0 0
M  V30 20 C 0.4760 3.2779 0.0 0
M  V30 21 C 1.0306 0.6688 0.0 0
M  V30 22 C 0.0000 1.8132 0.0 0
M  V30 23 C 5.7533 2.3100 0.0 0
M  V30 24 C 7.0870 3.0800 0.0 0
M  V30 25 N 5.7533 0.7700 0.0 0
M  V30 26 C 8.4208 2.3100 0.0 0
M  V30 27 C 7.0870 0.0000 0.0 0
M  V30 28 N 8.4208 0.7700 0.0 0
M  V30 29 C 11.0881 2.3100 0.0 0
M  V30 30 C 12.4218 3.0800 0.0 0
M  V30 31 C 11.0881 0.7700 0.0 0
M  V30 32 C 13.7556 2.3100 0.0 0
M  V30 33 C 12.4218 0.0000 0.0 0
M  V30 34 C 13.7556 0.7700 0.0 0
M  V30 35 C 17.7565 3.0800 0.0 0
M  V30 36 C 17.7565 4.6201 0.0 0
M  V30 37 C 19.0904 2.3100 0.0 0
M  V30 38 C 19.0904 5.3901 0.0 0
M  V30 39 C 20.4240 3.0800 0.0 0
M  V30 40 C 20.4240 4.6201 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 26
M  V30 2 1 1 29
M  V30 3 1 2 3
M  V30 4 1 2 32
M  V30 5 2 3 4
M  V30 6 1 3 35
M  V30 7 1 5 6
M  V30 8 1 5 40
M  V30 9 1 6 7
M  V30 10 2 6 8
M  V30 11 2 7 9
M  V30 12 1 9 10
M  V30 13 1 10 11
M  V30 14 1 11 12
M  V30 15 1 11 13
M  V30 16 1 14 15
M  V30 17 2 14 16
M  V30 18 1 14 23
M  V30 19 1 15 17
M  V30 20 2 15 18
M  V30 21 1 16 19
M  V30 22 1 17 19
M  V30 23 2 17 20
M  V30 24 1 18 21
M  V30 25 1 20 22
M  V30 26 2 21 22
M  V30 27 1 23 24
M  V30 28 2 23 25
M  V30 29 2 24 26
M  V30 30 1 25 27
M  V30 31 1 26 28
M  V30 32 2 27 28
M  V30 33 2 29 30
M  V30 34 1 29 31
M  V30 35 1 30 32
M  V30 36 2 31 33
M  V30 37 2 32 34
M  V30 38 1 33 34
M  V30 39 2 35 36
M  V30 40 1 35 37
M  V30 41 1 36 38
M  V30 42 2 37 39
M  V30 43 2 38 40
M  V30 44 1 39 40
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2058075-45-7

> <cas.index.name>
Benzamide, 4-[[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]amino]-N-[3-[[6-(1H-indol-3-yl)-4-pyrimidinyl]amino]phenyl]-

> <molecular.formula>
C31H29N7O2

> <molecular.weight>
531.61

> <boiling.point.predicted>
765.2±60.0 °C    Press: 760 Torr

> <density.predicted>
1.334±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
12.94±0.70    Most Acidic Temp: 25 °C

$$$$
