AMG 232
C28H35Cl2NO5S
1352066-68-2 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  37 39 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 4.0010 6.8867 0.0 0 CFG=1
M  V30 2 C 4.0010 8.4268 0.0 0
M  V30 3 C 2.6673 6.1167 0.0 0
M  V30 4 S 2.6673 9.1968 0.0 0 VAL=6
M  V30 5 C 2.6673 4.5767 0.0 0
M  V30 6 C 1.3337 6.8867 0.0 0
M  V30 7 C 1.3337 9.9668 0.0 0
M  V30 8 O 3.4374 10.5304 0.0 0
M  V30 9 O 1.8973 7.8631 0.0 0
M  V30 10 C 0.0000 9.1968 0.0 0
M  V30 11 C 1.3337 11.5068 0.0 0
M  V30 12 O 4.0010 3.8067 0.0 0
M  V30 13 C 5.6786 2.6268 0.0 0
M  V30 14 C 6.2053 1.1798 0.0 0
M  V30 15 O 7.7219 0.9123 0.0 0
M  V30 16 O 5.2153 0.0000 0.0 0
M  V30 17 C 7.6584 2.6268 0.0 0
M  V30 18 Cl 13.3370 6.1167 0.0 0
M  V30 19 Cl 6.6685 13.0469 0.0 0
M  V30 20 C 6.6685 6.8867 0.0 0 CFG=2
M  V30 21 N 5.3348 6.1167 0.0 0
M  V30 22 C 8.0022 6.1167 0.0 0 CFG=1
M  V30 23 C 5.3348 4.5767 0.0 0
M  V30 24 C 8.0022 4.5767 0.0 0
M  V30 25 C 6.6685 3.8067 0.0 0 CFG=1
M  V30 26 C 6.6685 8.4268 0.0 0
M  V30 27 C 8.0022 9.1968 0.0 0
M  V30 28 C 5.3348 9.1968 0.0 0
M  V30 29 C 8.0022 10.7368 0.0 0
M  V30 30 C 5.3348 10.7368 0.0 0
M  V30 31 C 6.6685 11.5068 0.0 0
M  V30 32 C 9.3360 6.8867 0.0 0
M  V30 33 C 10.6697 6.1167 0.0 0
M  V30 34 C 9.3360 8.4268 0.0 0
M  V30 35 C 12.0033 6.8867 0.0 0
M  V30 36 C 10.6697 9.1968 0.0 0
M  V30 37 C 12.0033 8.4268 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3 CFG=1
M  V30 3 1 1 21
M  V30 4 1 2 4
M  V30 5 1 3 5
M  V30 6 1 3 6
M  V30 7 1 4 7
M  V30 8 2 4 8
M  V30 9 2 4 9
M  V30 10 1 7 10
M  V30 11 1 7 11
M  V30 12 2 12 23
M  V30 13 1 13 14
M  V30 14 1 25 13 CFG=3
M  V30 15 1 14 15
M  V30 16 2 14 16
M  V30 17 1 25 17 CFG=1
M  V30 18 1 18 35
M  V30 19 1 19 31
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 20 26 CFG=3
M  V30 23 1 21 23
M  V30 24 1 22 24
M  V30 25 1 22 32 CFG=1
M  V30 26 1 23 25
M  V30 27 1 24 25
M  V30 28 2 26 27
M  V30 29 1 26 28
M  V30 30 1 27 29
M  V30 31 2 28 30
M  V30 32 2 29 31
M  V30 33 1 30 31
M  V30 34 2 32 33
M  V30 35 1 32 34
M  V30 36 1 33 35
M  V30 37 2 34 36
M  V30 38 2 35 37
M  V30 39 1 36 37
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(4 1 20 22 25)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
1352066-68-2

> <cas.index.name>
3-Piperidineacetic acid, 5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(1S)-2-methyl-1-[[(1-methylethyl)sulfonyl]methyl]propyl]-2-oxo-, (3R,5R,6S)-

> <molecular.formula>
C28H35Cl2NO5S

> <molecular.weight>
568.55

> <melting.point.experimental>
159-163 °C

> <boiling.point.predicted>
732.7±60.0 °C    Press: 760 Torr

> <density.predicted>
1.254±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
4.29±0.10    Most Acidic Temp: 25 °C

$$$$
