3-(4-Bromophenyl)-6-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]thiazolo[2,3-c...
C22H22BrN5OS
862808-01-3 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  30 34 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 9.7918 5.4385 0.0 0
M  V30 2 Br 0.0000 2.6877 0.0 0
M  V30 3 O 20.5721 5.4385 0.0 0
M  V30 4 C 21.3421 6.7721 0.0 0
M  V30 5 N 7.1701 2.4374 0.0 0
M  V30 6 C 6.0255 1.4068 0.0 0
M  V30 7 C 8.5038 1.6674 0.0 0
M  V30 8 C 7.4903 3.9437 0.0 0
M  V30 9 N 6.6519 0.0000 0.0 0
M  V30 10 S 9.6482 2.6978 0.0 0
M  V30 11 N 8.1836 0.1609 0.0 0
M  V30 12 C 9.0218 4.1048 0.0 0
M  V30 13 C 4.5192 1.7271 0.0 0
M  V30 14 C 3.4886 0.5826 0.0 0
M  V30 15 C 4.0432 3.1917 0.0 0
M  V30 16 C 1.9823 0.9028 0.0 0
M  V30 17 C 2.5369 3.5119 0.0 0
M  V30 18 C 1.5065 2.3675 0.0 0
M  V30 19 N 11.3319 5.4385 0.0 0
M  V30 20 C 12.1019 4.1048 0.0 0
M  V30 21 C 12.1019 6.7721 0.0 0
M  V30 22 C 13.6419 4.1048 0.0 0
M  V30 23 C 13.6419 6.7721 0.0 0
M  V30 24 N 14.4119 5.4385 0.0 0
M  V30 25 C 15.9520 5.4385 0.0 0
M  V30 26 C 16.7220 4.1048 0.0 0
M  V30 27 C 16.7220 6.7721 0.0 0
M  V30 28 C 18.2620 4.1048 0.0 0
M  V30 29 C 18.2620 6.7721 0.0 0
M  V30 30 C 19.0320 5.4385 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 12
M  V30 2 1 1 19
M  V30 3 1 2 18
M  V30 4 1 3 4
M  V30 5 1 3 30
M  V30 6 1 5 6
M  V30 7 1 5 7
M  V30 8 1 5 8
M  V30 9 2 6 9
M  V30 10 1 6 13
M  V30 11 1 7 10
M  V30 12 2 7 11
M  V30 13 2 8 12
M  V30 14 1 9 11
M  V30 15 1 10 12
M  V30 16 2 13 14
M  V30 17 1 13 15
M  V30 18 1 14 16
M  V30 19 2 15 17
M  V30 20 2 16 18
M  V30 21 1 17 18
M  V30 22 1 19 20
M  V30 23 1 19 21
M  V30 24 1 20 22
M  V30 25 1 21 23
M  V30 26 1 22 24
M  V30 27 1 23 24
M  V30 28 1 24 25
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 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
862808-01-3

> <cas.index.name>
Thiazolo[2,3-c]-1,2,4-triazole, 3-(4-bromophenyl)-6-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-

> <molecular.formula>
C22H22BrN5OS

> <molecular.weight>
484.41

> <density.predicted>
1.52±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
6.56±0.10    Most Basic Temp: 25 °C

$$$$
