ChemSpider 2D Image | N-[(7S)-1,2,3-Trimethoxy-10-{[(2S)-4-methyl-1-oxo-1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-pentanyl]amino}-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide | C38H44N4O6

N-[(7S)-1,2,3-Trimethoxy-10-{[(2S)-4-methyl-1-oxo-1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-pentanyl]amino}-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

  • Molecular FormulaC38H44N4O6
  • Average mass652.779 Da
  • Monoisotopic mass652.326111 Da
  • ChemSpider ID32510667

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acetamide, N-[(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-[[(1S)-3-methyl-1-[(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]butyl]amino]-9-oxobenzo[a]heptalen-7-yl]- [ACD/Index Name]
N-[(7S)-1,2,3-Trimethoxy-10-{[(2S)-4-methyl-1-oxo-1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-pentanyl]amino}-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamid [German] [ACD/IUPAC Name]
N-[(7S)-1,2,3-Trimethoxy-10-{[(2S)-4-methyl-1-oxo-1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-pentanyl]amino}-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide [ACD/IUPAC Name]
N-[(7S)-1,2,3-Triméthoxy-10-{[(2S)-4-méthyl-1-oxo-1-(1,3,4,5-tétrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-pentanyl]amino}-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-7-yl]acétamide [French] [ACD/IUPAC Name]
N-[(7S)-1,2,3-trimethoxy-10-[[(2S)-4-methyl-1-oxo-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pentan-2-yl]amino]-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 958.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 139.7±3.0 kJ/mol
    Flash Point: 533.4±34.3 °C
    Index of Refraction: 1.649
    Molar Refractivity: 183.7±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 4.24
    ACD/LogD (pH 5.5): 4.52
    ACD/BCF (pH 5.5): 1610.43
    ACD/KOC (pH 5.5): 6872.68
    ACD/LogD (pH 7.4): 4.52
    ACD/BCF (pH 7.4): 1610.43
    ACD/KOC (pH 7.4): 6872.71
    Polar Surface Area: 122 Å2
    Polarizability: 72.8±0.5 10-24cm3
    Surface Tension: 61.8±5.0 dyne/cm
    Molar Volume: 503.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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