ChemSpider 2D Image | (7S)-N-{(2S)-1-[(3-Methylbutyl)amino]-1-oxo-3-phenyl-2-propanyl}-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide | C33H34N4O3

(7S)-N-{(2S)-1-[(3-Methylbutyl)amino]-1-oxo-3-phenyl-2-propanyl}-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide

  • Molecular FormulaC33H34N4O3
  • Average mass534.648 Da
  • Monoisotopic mass534.263062 Da
  • ChemSpider ID17471174

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(7S)-N-{(2S)-1-[(3-Methylbutyl)amino]-1-oxo-3-phenyl-2-propanyl}-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indol-7-carboxamid [German] [ACD/IUPAC Name]
(7S)-N-{(2S)-1-[(3-Methylbutyl)amino]-1-oxo-3-phenyl-2-propanyl}-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide [ACD/IUPAC Name]
(7S)-N-{(2S)-1-[(3-Méthylbutyl)amino]-1-oxo-3-phényl-2-propanyl}-5-oxo-7,8,13,13b-tétrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide [French] [ACD/IUPAC Name]
5H-Benz[1,2]indolizino[8,7-b]indole-7-carboxamide, 7,8,13,13b-tetrahydro-N-[(1S)-2-[(3-methylbutyl)amino]-2-oxo-1-(phenylmethyl)ethyl]-5-oxo-, (7S)- [ACD/Index Name]
(7S)-N-((S)-1-(isopentylamino)-1-oxo-3-phenylpropan-2-yl)-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide
956918-19-7 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 849.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 123.5±3.0 kJ/mol
    Flash Point: 467.7±34.3 °C
    Index of Refraction: 1.684
    Molar Refractivity: 155.2±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 4.30
    ACD/LogD (pH 5.5): 4.45
    ACD/BCF (pH 5.5): 1429.31
    ACD/KOC (pH 5.5): 6310.12
    ACD/LogD (pH 7.4): 4.45
    ACD/BCF (pH 7.4): 1429.31
    ACD/KOC (pH 7.4): 6310.11
    Polar Surface Area: 94 Å2
    Polarizability: 61.5±0.5 10-24cm3
    Surface Tension: 66.1±5.0 dyne/cm
    Molar Volume: 409.0±5.0 cm3

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