ChemSpider 2D Image | (7S)-N-{(2S)-4-Methyl-1-oxo-1-[(tetrahydro-2-furanylmethyl)amino]-2-pentanyl}-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide | C30H34N4O4

(7S)-N-{(2S)-4-Methyl-1-oxo-1-[(tetrahydro-2-furanylmethyl)amino]-2-pentanyl}-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide

  • Molecular FormulaC30H34N4O4
  • Average mass514.615 Da
  • Monoisotopic mass514.257996 Da
  • ChemSpider ID17470665

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(7S)-N-{(2S)-4-Methyl-1-oxo-1-[(tetrahydro-2-furanylmethyl)amino]-2-pentanyl}-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)-4-Methyl-1-oxo-1-[(tetrahydro-2-furanylmethyl)amino]-2-pentanyl}-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide [ACD/IUPAC Name]
(7S)-N-{(2S)-4-Méthyl-1-oxo-1-[(tétrahydro-2-furanylméthyl)amino]-2-pentanyl}-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)-3-methyl-1-[[[(tetrahydro-2-furanyl)methyl]amino]carbonyl]butyl]-5-oxo-, (7S)- [ACD/Index Name]
(7S)-N-((2S)-4-methyl-1-oxo-1-(((tetrahydrofuran-2-yl)methyl)amino)pentan-2-yl)-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide
956958-24-0 [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: 824.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 119.9±3.0 kJ/mol
    Flash Point: 452.6±34.3 °C
    Index of Refraction: 1.668
    Molar Refractivity: 144.1±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 1.94
    ACD/LogD (pH 5.5): 2.63
    ACD/BCF (pH 5.5): 59.21
    ACD/KOC (pH 5.5): 646.12
    ACD/LogD (pH 7.4): 2.63
    ACD/BCF (pH 7.4): 59.21
    ACD/KOC (pH 7.4): 646.12
    Polar Surface Area: 104 Å2
    Polarizability: 57.1±0.5 10-24cm3
    Surface Tension: 65.7±5.0 dyne/cm
    Molar Volume: 386.8±5.0 cm3

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