ChemSpider 2D Image | N~2~-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(1-methyl-1H-indol-6-yl)-L-alaninamide | C33H36N4O6

N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(1-methyl-1H-indol-6-yl)-L-alaninamide

  • Molecular FormulaC33H36N4O6
  • Average mass584.662 Da
  • Monoisotopic mass584.263489 Da
  • ChemSpider ID32510518

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(1-methyl-1H-indol-6-yl)-L-alaninamid [German] [ACD/IUPAC Name]
N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(1-methyl-1H-indol-6-yl)-L-alaninamide [ACD/IUPAC Name]
N2-[(7S)-7-Acétamido-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-10-yl]-N-(1-méthyl-1H-indol-6-yl)-L-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-[[(7S)-7-(acetylamino)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-10-yl]amino]-N-(1-methyl-1H-indol-6-yl)-, (2S)- [ACD/Index Name]
(2S)-2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-(1-methylindol-6-yl)propanamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 951.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 138.7±3.0 kJ/mol
    Flash Point: 529.4±34.3 °C
    Index of Refraction: 1.630
    Molar Refractivity: 160.6±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 2.64
    ACD/LogD (pH 5.5): 2.98
    ACD/BCF (pH 5.5): 108.62
    ACD/KOC (pH 5.5): 997.45
    ACD/LogD (pH 7.4): 2.98
    ACD/BCF (pH 7.4): 108.64
    ACD/KOC (pH 7.4): 997.62
    Polar Surface Area: 120 Å2
    Polarizability: 63.7±0.5 10-24cm3
    Surface Tension: 46.3±7.0 dyne/cm
    Molar Volume: 451.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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