ChemSpider 2D Image | BMS-986115 | C26H25F7N4O3

BMS-986115

  • Molecular FormulaC26H25F7N4O3
  • Average mass574.490 Da
  • Monoisotopic mass574.181458 Da
  • ChemSpider ID34992153

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3S)-N-[(3S)-5-(3-Fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)succinamide [ACD/IUPAC Name]
(2R,3S)-N-[(3S)-5-(3-Fluorophényl)-9-méthyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazépin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)succinamide [French] [ACD/IUPAC Name]
(2R,3S)-N-[(3S)-5-(3-Fluorphenyl)-9-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluorpropyl)succinamid [German] [ACD/IUPAC Name]
1584647-27-7 [RN]
BMS-986115
Butanediamide, N1-[(3S)-5-(3-fluorophenyl)-2,3-dihydro-9-methyl-2-oxo-1H-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)-, (2R,3S)- [ACD/Index Name]
LSK1L593UU
(2R,3S)-N1-((S)-5-(3-Fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-2,3-bis(3,3,3-trifluoropropyl)succinamide
(2S,3R)-N'-[(3S)-5-(3-fluorophenyl)-9-methyl-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)butanediamide
Butanediamide,N1-[(3S)-5-(3-fluorophenyl)-2,3-dihydro-9-methyl-2-oxo-1H-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)-,(2R,3S)-
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 714.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.5±3.0 kJ/mol
    Flash Point: 386.1±32.9 °C
    Index of Refraction: 1.559
    Molar Refractivity: 128.3±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 2.47
    ACD/LogD (pH 5.5): 3.34
    ACD/BCF (pH 5.5): 204.36
    ACD/KOC (pH 5.5): 1567.66
    ACD/LogD (pH 7.4): 3.34
    ACD/BCF (pH 7.4): 204.54
    ACD/KOC (pH 7.4): 1569.06
    Polar Surface Area: 114 Å2
    Polarizability: 50.9±0.5 10-24cm3
    Surface Tension: 40.1±7.0 dyne/cm
    Molar Volume: 397.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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