[4-[1-[[1-(4-Fluorophenyl)-1H-indol-5-yl]carbonyl]-3-azetidinyl]-1-piperaziny...
C26H24FN5O2S
1252765-13-1 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  35 40 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 12.3255 1.5400 0.0 0
M  V30 2 O 12.3255 0.0000 0.0 0
M  V30 3 F 23.4964 3.5997 0.0 0
M  V30 4 C 3.7710 6.4791 0.0 0
M  V30 5 O 3.7710 8.0191 0.0 0
M  V30 6 C 16.3266 3.8500 0.0 0
M  V30 7 N 17.4710 4.8806 0.0 0
M  V30 8 C 14.9928 4.6200 0.0 0
M  V30 9 C 16.3266 2.3100 0.0 0
M  V30 10 C 16.8447 6.2874 0.0 0
M  V30 11 C 13.6592 3.8500 0.0 0
M  V30 12 C 15.3130 6.1264 0.0 0
M  V30 13 C 14.9928 1.5400 0.0 0
M  V30 14 C 13.6592 2.3100 0.0 0
M  V30 15 C 18.9773 4.5604 0.0 0
M  V30 16 C 19.4533 3.0957 0.0 0
M  V30 17 C 20.0078 5.7048 0.0 0
M  V30 18 C 20.9596 2.7755 0.0 0
M  V30 19 C 21.5141 5.3846 0.0 0
M  V30 20 C 21.9900 3.9199 0.0 0
M  V30 21 N 10.9919 2.3100 0.0 0
M  V30 22 C 10.5932 3.7976 0.0 0
M  V30 23 C 9.5043 1.9114 0.0 0
M  V30 24 C 9.1057 3.3991 0.0 0
M  V30 25 N 7.7721 4.1691 0.0 0
M  V30 26 C 7.7721 5.7091 0.0 0
M  V30 27 C 6.4384 3.3991 0.0 0
M  V30 28 C 6.4384 6.4791 0.0 0
M  V30 29 C 5.1046 4.1691 0.0 0
M  V30 30 N 5.1046 5.7091 0.0 0
M  V30 31 C 2.4374 5.7091 0.0 0
M  V30 32 N 1.0304 6.3354 0.0 0
M  V30 33 S 2.2764 4.1774 0.0 0
M  V30 34 C 0.0000 5.1909 0.0 0
M  V30 35 C 0.7700 3.8572 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 1 14
M  V30 3 1 1 21
M  V30 4 1 3 20
M  V30 5 2 4 5
M  V30 6 1 4 30
M  V30 7 1 4 31
M  V30 8 1 6 7
M  V30 9 1 6 8
M  V30 10 2 6 9
M  V30 11 1 7 10
M  V30 12 1 7 15
M  V30 13 2 8 11
M  V30 14 1 8 12
M  V30 15 1 9 13
M  V30 16 2 10 12
M  V30 17 1 11 14
M  V30 18 2 13 14
M  V30 19 2 15 16
M  V30 20 1 15 17
M  V30 21 1 16 18
M  V30 22 2 17 19
M  V30 23 2 18 20
M  V30 24 1 19 20
M  V30 25 1 21 22
M  V30 26 1 21 23
M  V30 27 1 22 24
M  V30 28 1 23 24
M  V30 29 1 24 25
M  V30 30 1 25 26
M  V30 31 1 25 27
M  V30 32 1 26 28
M  V30 33 1 27 29
M  V30 34 1 28 30
M  V30 35 1 29 30
M  V30 36 2 31 32
M  V30 37 1 31 33
M  V30 38 1 32 34
M  V30 39 1 33 35
M  V30 40 2 34 35
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1252765-13-1

> <cas.index.name>
Methanone, [4-[1-[[1-(4-fluorophenyl)-1H-indol-5-yl]carbonyl]-3-azetidinyl]-1-piperazinyl]-2-thiazolyl-

> <molecular.formula>
C26H24FN5O2S

> <molecular.weight>
489.57

> <boiling.point.predicted>
624.9±65.0 °C    Press: 760 Torr

> <density.predicted>
1.44±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
5.68±0.70    Most Basic Temp: 25 °C

$$$$
