ChemSpider 2D Image | (9S)-N-[(2S)-3-Methyl-1-oxo-1-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)-2-butanyl]-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboxamide | C28H33N5O3

(9S)-N-[(2S)-3-Methyl-1-oxo-1-(1,3,4,9-tetrahydro-2H-β-carbolin-2-yl)-2-butanyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

  • Molecular FormulaC28H33N5O3
  • Average mass487.593 Da
  • Monoisotopic mass487.258331 Da
  • ChemSpider ID64860287

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(9S)-N-[(2S)-3-Methyl-1-oxo-1-(1,3,4,9-tetrahydro-2H-β-carbolin-2-yl)-2-butanyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-carboxamid [German] [ACD/IUPAC Name]
(9S)-N-[(2S)-3-Methyl-1-oxo-1-(1,3,4,9-tetrahydro-2H-β-carbolin-2-yl)-2-butanyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide [ACD/IUPAC Name]
(9S)-N-[(2S)-3-Méthyl-1-oxo-1-(1,3,4,9-tétrahydro-2H-β-carbolin-2-yl)-2-butanyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-diène-11-carboxamide [French] [ACD/IUPAC Name]
1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide, 1,5,6,8-tetrahydro-N-[(1S)-2-methyl-1-[(1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)carbonyl]propyl]-8-oxo-, (5S)- [ACD/Index Name]
(1S,5S)-N-((S)-1-(3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)-3-methyl-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide
2108734-50-3 [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: 839.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 122.0±3.0 kJ/mol
    Flash Point: 461.5±34.3 °C
    Index of Refraction: 1.693
    Molar Refractivity: 137.8±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.68
    ACD/LogD (pH 5.5): 2.66
    ACD/BCF (pH 5.5): 62.40
    ACD/KOC (pH 5.5): 670.80
    ACD/LogD (pH 7.4): 2.66
    ACD/BCF (pH 7.4): 62.39
    ACD/KOC (pH 7.4): 670.76
    Polar Surface Area: 89 Å2
    Polarizability: 54.6±0.5 10-24cm3
    Surface Tension: 69.4±5.0 dyne/cm
    Molar Volume: 359.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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