(2E)-3-[2,6-Dichloro-4-[[[4-[3-(2,2-dimethyl-1-propoxypropyl)-2-methoxyphenyl...
C29H32Cl2N2O5S
1110767-45-7 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  39 41 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.3347 4.6200 0.0 0
M  V30 2 C 6.6685 5.3900 0.0 0
M  V30 3 C 2.6674 3.0800 0.0 0 CFG=3
M  V30 4 O 2.6674 4.6200 0.0 0
M  V30 5 C 1.3338 2.3100 0.0 0
M  V30 6 C 1.3338 5.3900 0.0 0
M  V30 7 C 2.1038 0.9764 0.0 0
M  V30 8 C 0.0000 1.5400 0.0 0
M  V30 9 C 0.5638 3.6437 0.0 0
M  V30 10 C 1.3338 6.9300 0.0 0
M  V30 11 C 0.0000 7.7000 0.0 0
M  V30 12 N 11.9711 3.4371 0.0 0
M  V30 13 C 12.8763 4.6830 0.0 0
M  V30 14 O 12.2498 6.0898 0.0 0
M  V30 15 Cl 17.1922 1.5472 0.0 0
M  V30 16 Cl 17.7498 6.8529 0.0 0
M  V30 17 C 19.0026 4.0391 0.0 0
M  V30 18 C 19.9078 5.2850 0.0 0
M  V30 19 C 21.4394 5.1241 0.0 0
M  V30 20 C 19.2814 6.6918 0.0 0
M  V30 21 O 22.0657 3.7171 0.0 0
M  V30 22 O 22.3446 6.3699 0.0 0
M  V30 23 C 6.6685 2.3100 0.0 0
M  V30 24 C 5.3347 3.0800 0.0 0
M  V30 25 C 6.6685 0.7700 0.0 0
M  V30 26 C 4.0011 2.3100 0.0 0
M  V30 27 C 5.3347 0.0000 0.0 0
M  V30 28 C 4.0011 0.7700 0.0 0
M  V30 29 C 8.0022 3.0800 0.0 0
M  V30 30 N 9.4090 2.4537 0.0 0
M  V30 31 C 8.1631 4.6116 0.0 0
M  V30 32 C 10.4396 3.5981 0.0 0
M  V30 33 S 9.6696 4.9317 0.0 0
M  V30 34 C 14.4079 4.5221 0.0 0
M  V30 35 C 15.0342 3.1151 0.0 0
M  V30 36 C 15.3131 5.7679 0.0 0
M  V30 37 C 16.5659 2.9542 0.0 0
M  V30 38 C 16.8446 5.6070 0.0 0
M  V30 39 C 17.4709 4.2001 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 24
M  V30 3 1 3 4
M  V30 4 1 3 5
M  V30 5 1 3 26
M  V30 6 1 4 6
M  V30 7 1 5 7
M  V30 8 1 5 8
M  V30 9 1 5 9
M  V30 10 1 6 10
M  V30 11 1 10 11
M  V30 12 1 12 13
M  V30 13 1 12 32
M  V30 14 2 13 14
M  V30 15 1 13 34
M  V30 16 1 15 37
M  V30 17 1 16 38
M  V30 18 2 17 18
M  V30 19 1 17 39
M  V30 20 1 18 19
M  V30 21 1 18 20
M  V30 22 1 19 21
M  V30 23 2 19 22
M  V30 24 2 23 24
M  V30 25 1 23 25
M  V30 26 1 23 29
M  V30 27 1 24 26
M  V30 28 2 25 27
M  V30 29 2 26 28
M  V30 30 1 27 28
M  V30 31 1 29 30
M  V30 32 2 29 31
M  V30 33 2 30 32
M  V30 34 1 31 33
M  V30 35 1 32 33
M  V30 36 2 34 35
M  V30 37 1 34 36
M  V30 38 1 35 37
M  V30 39 2 36 38
M  V30 40 2 37 39
M  V30 41 1 38 39
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1110767-45-7

> <cas.index.name>
2-Propenoic acid, 3-[2,6-dichloro-4-[[[4-[3-(2,2-dimethyl-1-propoxypropyl)-2-methoxyphenyl]-2-thiazolyl]amino]carbonyl]phenyl]-2-methyl-, (2E)-

> <molecular.formula>
C29H32Cl2N2O5S

> <molecular.weight>
591.55

> <density.predicted>
1.299±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
4.33±0.21    Most Acidic Temp: 25 °C

$$$$
