ChemSpider 2D Image | Navitoclax | C47H55ClF3N5O6S3

Navitoclax

  • Molecular FormulaC47H55ClF3N5O6S3
  • Average mass974.613 Da
  • Monoisotopic mass973.295532 Da
  • ChemSpider ID21864722
  • defined stereocentres - 1 of 1 defined stereocentres


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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-{[(2R)-4-(4-morpholinyl)-1-(phenylsulfanyl)-2-butanyl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamid e [ACD/IUPAC Name]
4-(4-{[2-(4-Chlorophényl)-5,5-diméthyl-1-cyclohexén-1-yl]méthyl}-1-pipérazinyl)-N-[(4-{[(2R)-4-(4-morpholinyl)-1-(phénylsulfanyl)-2-butanyl]amino}-3-[(trifluorométhyl)sulfonyl]phényl)sulfonyl]benzamid e [French] [ACD/IUPAC Name]
4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-trifluoromethanesulfonylbenzenesulfonyl)benzamide
4-(4-{[2-(4-Chlorphenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazinyl)-N-[(4-{[(2R)-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-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]
Benzamide, 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]sulfon yl]- [ACD/Index Name]
Navitoclax [INN] [USAN]
Navitoclax [Spanish] [INN]
Navitoclax [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9288 [DBID]
A-855071.0 [DBID]
ABT 263 [DBID]
ABT_263 [DBID]
ABT-263 [DBID]
ABT263 [DBID]
LY 450108 [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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