ChemSpider 2D Image | N-[(4-{[(1S)-1-(Benzylsulfanyl)-3-(4-morpholinyl)propyl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]-4-(4-{[2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazinyl)benzamide | C47H55ClF3N5O6S3

N-[(4-{[(1S)-1-(Benzylsulfanyl)-3-(4-morpholinyl)propyl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]-4-(4-{[2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazinyl)benzamide

  • Molecular FormulaC47H55ClF3N5O6S3
  • Average mass974.613 Da
  • Monoisotopic mass973.295532 Da
  • ChemSpider ID57425964

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Benzamide, 4-[4-[[2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[4-[[(1S)-3-(4-morpholinyl)-1-[(phenylmethyl)thio]propyl]amino]-3-[(trifluoromethyl)sulfonyl]phenyl]sulfon yl]- [ACD/Index Name]
N-[(4-{[(1S)-1-(Benzylsulfanyl)-3-(4-morpholinyl)propyl]amino}-3-[(trifluormethyl)sulfonyl]phenyl)sulfonyl]-4-(4-{[2-(4-chlorphenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazinyl)benzamid [German] [ACD/IUPAC Name]
N-[(4-{[(1S)-1-(Benzylsulfanyl)-3-(4-morpholinyl)propyl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]-4-(4-{[2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazinyl)benzamide [ACD/IUPAC Name]
N-[(4-{[(1S)-1-(Benzylsulfanyl)-3-(4-morpholinyl)propyl]amino}-3-[(trifluorométhyl)sulfonyl]phényl)sulfonyl]-4-(4-{[2-(4-chlorophényl)-5,5-diméthyl-1-cyclohexén-1-yl]méthyl}-1-pipérazinyl)benzamide [French] [ACD/IUPAC Name]
4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(4-morpholinyl)-1-[(phenylthio)methyl]propyl]amino]-3-[(trifluoromethyl)sulfonyl]phenyl]sulfonyl]benzamide
923564-51-6 [RN]
Navitoclax [INN] [USAN]
Navitoclax|ABT 263

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ABT 263 [DBID]
ABT-263 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.604
Molar Refractivity: 252.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 12.16
ACD/LogD (pH 5.5): 7.44
ACD/BCF (pH 5.5): 52479.11
ACD/KOC (pH 5.5): 12164.28
ACD/LogD (pH 7.4): 8.32
ACD/BCF (pH 7.4): 398073.00
ACD/KOC (pH 7.4): 92270.45
Polar Surface Area: 170 Å2
Polarizability: 100.0±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 733.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement