ChemSpider 2D Image | N-[(1S)-1-(1H-Benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide | C30H32N4O3

N-[(1S)-1-(1H-Benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide

  • Molecular FormulaC30H32N4O3
  • Average mass496.600 Da
  • Monoisotopic mass496.247437 Da
  • ChemSpider ID32515440

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

4-Isoquinolinecarboxamide, N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1,2,3,4-tetrahydro-3-(4-methoxyphenyl)-2-methyl-1-oxo- [ACD/Index Name]
N-[(1S)-1-(1H-Benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isochinolincarboxamid [German] [ACD/IUPAC Name]
N-[(1S)-1-(1H-Benzimidazol-2-yl)-3-méthylbutyl]-3-(4-méthoxyphényl)-2-méthyl-1-oxo-1,2,3,4-tétrahydro-4-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
N-[(1S)-1-(1H-Benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide [ACD/IUPAC Name]
1630940-37-2 [RN]
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 756.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 110.1±3.0 kJ/mol
    Flash Point: 411.0±32.9 °C
    Index of Refraction: 1.629
    Molar Refractivity: 144.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.01
    ACD/LogD (pH 5.5): 3.78
    ACD/BCF (pH 5.5): 394.73
    ACD/KOC (pH 5.5): 2230.02
    ACD/LogD (pH 7.4): 3.95
    ACD/BCF (pH 7.4): 596.19
    ACD/KOC (pH 7.4): 3368.14
    Polar Surface Area: 87 Å2
    Polarizability: 57.1±0.5 10-24cm3
    Surface Tension: 53.7±3.0 dyne/cm
    Molar Volume: 405.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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