N-[4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-3-[(1E)-2-(4-...
C32H34F3N5O2
1315329-43-1 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  42 46 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 1.6672 8.0023 0.0 0
M  V30 2 C 0.1272 8.0023 0.0 0
M  V30 3 C 4.7473 8.0023 0.0 0
M  V30 4 C 6.2873 8.0023 0.0 0
M  V30 5 C 4.7473 5.3348 0.0 0
M  V30 6 C 10.9074 5.3348 0.0 0
M  V30 7 N 11.6775 4.0012 0.0 0
M  V30 8 O 11.6775 6.6685 0.0 0
M  V30 9 C 16.2976 1.3337 0.0 0
M  V30 10 F 14.9639 0.5637 0.0 0
M  V30 11 F 17.0676 0.0000 0.0 0
M  V30 12 F 17.6314 2.1037 0.0 0
M  V30 13 C 17.8376 4.0012 0.0 0
M  V30 14 C 20.9177 9.3360 0.0 0
M  V30 15 C 22.4577 9.3360 0.0 0
M  V30 16 C 1.6672 10.6697 0.0 0
M  V30 17 C 2.4373 9.3360 0.0 0
M  V30 18 C 2.4373 12.0033 0.0 0
M  V30 19 C 0.1609 10.9898 0.0 0
M  V30 20 C 3.9773 9.3360 0.0 0
M  V30 21 N 3.9773 12.0033 0.0 0
M  V30 22 N 1.4068 13.1479 0.0 0
M  V30 23 C 0.0000 12.5214 0.0 0
M  V30 24 C 4.7473 10.6697 0.0 0
M  V30 25 C 7.0574 6.6685 0.0 0
M  V30 26 C 8.5974 6.6685 0.0 0
M  V30 27 C 6.2873 5.3348 0.0 0
M  V30 28 C 9.3674 5.3348 0.0 0
M  V30 29 C 7.0574 4.0012 0.0 0
M  V30 30 C 8.5974 4.0012 0.0 0
M  V30 31 C 13.2175 4.0012 0.0 0
M  V30 32 C 13.9875 2.6675 0.0 0
M  V30 33 C 13.9875 5.3348 0.0 0
M  V30 34 C 15.5275 2.6675 0.0 0
M  V30 35 C 15.5275 5.3348 0.0 0
M  V30 36 C 16.2976 4.0012 0.0 0
M  V30 37 N 18.6076 5.3348 0.0 0
M  V30 38 C 17.8376 6.6685 0.0 0
M  V30 39 C 20.1476 5.3348 0.0 0
M  V30 40 C 18.6076 8.0023 0.0 0
M  V30 41 C 20.9177 6.6685 0.0 0
M  V30 42 N 20.1476 8.0023 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 17
M  V30 3 2 3 4
M  V30 4 1 3 20
M  V30 5 1 4 25
M  V30 6 1 5 27
M  V30 7 1 6 7
M  V30 8 2 6 8
M  V30 9 1 6 28
M  V30 10 1 7 31
M  V30 11 1 9 10
M  V30 12 1 9 11
M  V30 13 1 9 12
M  V30 14 1 9 34
M  V30 15 1 13 36
M  V30 16 1 13 37
M  V30 17 1 14 15
M  V30 18 1 14 42
M  V30 19 2 16 17
M  V30 20 1 16 18
M  V30 21 1 16 19
M  V30 22 1 17 20
M  V30 23 2 18 21
M  V30 24 1 18 22
M  V30 25 2 19 23
M  V30 26 2 20 24
M  V30 27 1 21 24
M  V30 28 1 22 23
M  V30 29 2 25 26
M  V30 30 1 25 27
M  V30 31 1 26 28
M  V30 32 2 27 29
M  V30 33 2 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 2 33 35
M  V30 39 2 34 36
M  V30 40 1 35 36
M  V30 41 1 37 38
M  V30 42 1 37 39
M  V30 43 1 38 40
M  V30 44 1 39 41
M  V30 45 1 40 42
M  V30 46 1 41 42
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1315329-43-1

> <cas.index.name>
Benzamide, N-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-3-[(1E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methyl-

> <molecular.formula>
C32H34F3N5O2

> <molecular.weight>
577.64

> <density.predicted>
1.295±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
13.24±0.70    Most Acidic Temp: 25 °C

$$$$
