ChemSpider 2D Image | (7S)-N-{(2S)-1-[(1,3-Benzodioxol-5-ylmethyl)amino]-4-methyl-1-oxo-2-pentanyl}-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide | C33H32N4O5

(7S)-N-{(2S)-1-[(1,3-Benzodioxol-5-ylmethyl)amino]-4-methyl-1-oxo-2-pentanyl}-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide

  • Molecular FormulaC33H32N4O5
  • Average mass564.631 Da
  • Monoisotopic mass564.237244 Da
  • ChemSpider ID17470753

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(7S)-N-{(2S)-1-[(1,3-Benzodioxol-5-ylmethyl)amino]-4-methyl-1-oxo-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)-1-[(1,3-Benzodioxol-5-ylmethyl)amino]-4-methyl-1-oxo-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)-1-[(1,3-Benzodioxol-5-ylméthyl)amino]-4-méthyl-1-oxo-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, N-[(1S)-1-[[(1,3-benzodioxol-5-ylmethyl)amino]carbonyl]-3-methylbutyl]-7,8,13,13b-tetrahydro-5-oxo-, (7S)- [ACD/Index Name]
(7S)-N-((S)-1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-4-methyl-1-oxopentan-2-yl)-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide
957024-25-8 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 880.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 128.0±3.0 kJ/mol
    Flash Point: 486.5±34.3 °C
    Index of Refraction: 1.709
    Molar Refractivity: 156.6±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 3.42
    ACD/LogD (pH 5.5): 3.76
    ACD/BCF (pH 5.5): 425.84
    ACD/KOC (pH 5.5): 2652.27
    ACD/LogD (pH 7.4): 3.76
    ACD/BCF (pH 7.4): 425.84
    ACD/KOC (pH 7.4): 2652.26
    Polar Surface Area: 113 Å2
    Polarizability: 62.1±0.5 10-24cm3
    Surface Tension: 73.3±5.0 dyne/cm
    Molar Volume: 401.2±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement