ChemSpider 2D Image | Beclabuvir | C36H45N5O5S

Beclabuvir

  • Molecular FormulaC36H45N5O5S
  • Average mass659.838 Da
  • Monoisotopic mass659.314148 Da
  • ChemSpider ID27289076

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1aR,12bS)-8-Cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepin-5-carboxamid [German] [ACD/IUPAC Name]
(1aR,12bS)-8-Cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide [ACD/IUPAC Name]
(1aR,12bS)-8-Cyclohexyl-N-(diméthylsulfamoyl)-11-méthoxy-1a-{[(1R,5S)-3-méthyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tétrahydrocyclopropa[d]indolo[2,1-a][2]benzazépine-5-carboxamide [French] [ACD/IUPAC Name]
958002-33-0 [RN]
beclabuvir [Spanish] [INN]
Beclabuvir [INN] [USAN]
béclabuvir [French] [INN]
beclabuvirum [Latin] [INN]
BMS-791325
Cycloprop[d]indolo[2,1-a][2]benzazepine-5-carboxamide, 8-cyclohexyl-N-[(dimethylamino)sulfonyl]-1,1a,2,12b-tetrahydro-11-methoxy-1a-[[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl]-, (1aR, 12bS)- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9899 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.722
    Molar Refractivity: 179.6±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 4.71
    ACD/LogD (pH 5.5): 2.05
    ACD/BCF (pH 5.5): 5.84
    ACD/KOC (pH 5.5): 26.59
    ACD/LogD (pH 7.4): 2.29
    ACD/BCF (pH 7.4): 10.14
    ACD/KOC (pH 7.4): 46.13
    Polar Surface Area: 113 Å2
    Polarizability: 71.2±0.5 10-24cm3
    Surface Tension: 59.2±7.0 dyne/cm
    Molar Volume: 453.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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