ChemSpider 2D Image | Navitoclax | C47H55ClF3N5O6S3

Navitoclax

  • Molecular FormulaC47H55ClF3N5O6S3
  • Average mass974.613 Da
  • Monoisotopic mass973.295532 Da
  • ChemSpider ID24644757

More details:

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

4-(4-{[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazinyl)-N-[(4-{[4-(4-morpholinyl)-1-(phenylsulfanyl)-2-butanyl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide [ACD/IUPAC Name]
4-(4-{[2-(4-Chlorophényl)-5,5-diméthyl-1-cyclohexén-1-yl]méthyl}-1-pipérazinyl)-N-[(4-{[4-(4-morpholinyl)-1-(phénylsulfanyl)-2-butanyl]amino}-3-[(trifluorométhyl)sulfonyl]phényl)sulfonyl]benzamide [French] [ACD/IUPAC Name]
4-(4-{[2-(4-Chlorphenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazinyl)-N-[(4-{[4-(4-morpholinyl)-1-(phenylsulfanyl)-2-butanyl]amino}-3-[(trifluormethyl)sulfonyl]phenyl)sulfonyl]benzamid [German] [ACD/IUPAC Name]
4-[4-[[2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]-N-[4-[[4-(4-morpholinyl)-1-(phenylthio)butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide
Benzamide, 4-[4-[[2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[4-[[3-(4-morpholinyl)-1-[(phenylthio)methyl]propyl]amino]-3-[(trifluoromethyl)sulfonyl]phenyl]sulfonyl]- [ACD/Index Name]
Navitoclax [INN] [USAN]
(4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide
1217620-38-6 [RN]
4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-(4-{[4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-trifluoromethanesulfonylbenzenesulfonyl)benzamide
4-[4-[[2-(4-Chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[(4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl)amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ABT 263 [DBID]
ABT263 [DBID]
ABT-263 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.655
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: 12.14
ACD/LogD (pH 5.5): 7.40
ACD/BCF (pH 5.5): 47677.79
ACD/KOC (pH 5.5): 10984.60
ACD/LogD (pH 7.4): 8.31
ACD/BCF (pH 7.4): 384093.44
ACD/KOC (pH 7.4): 88492.23
Polar Surface Area: 170 Å2
Polarizability: 100.0±0.5 10-24cm3
Surface Tension: 66.1±5.0 dyne/cm
Molar Volume: 687.8±5.0 cm3

Click to predict properties on the Chemicalize site


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