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

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

  • Molecular FormulaC33H36N4O6
  • Average mass584.662 Da
  • Monoisotopic mass584.263489 Da
  • ChemSpider ID30718066

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acetamide, 2-[[(7S)-7-(acetylamino)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-10-yl]amino]-N-[2-(1H-indol-1-yl)ethyl]- [ACD/Index Name]
N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[2-(1H-indol-1-yl)ethyl]glycinamid [German] [ACD/IUPAC Name]
N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[2-(1H-indol-1-yl)ethyl]glycinamide [ACD/IUPAC Name]
N2-[(7S)-7-Acétamido-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-10-yl]-N-[2-(1H-indol-1-yl)éthyl]glycinamide [French] [ACD/IUPAC Name]
(S)-N-(2-(1H-indol-1-yl)ethyl)-2-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)acetamide
1574345-40-6 [RN]
2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-(2-indol-1-ylethyl)acetamide
MolPort-029-886-232

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 960.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 140.1±3.0 kJ/mol
    Flash Point: 534.9±34.3 °C
    Index of Refraction: 1.629
    Molar Refractivity: 161.0±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 2.31
    ACD/LogD (pH 5.5): 2.81
    ACD/BCF (pH 5.5): 79.91
    ACD/KOC (pH 5.5): 800.74
    ACD/LogD (pH 7.4): 2.81
    ACD/BCF (pH 7.4): 79.91
    ACD/KOC (pH 7.4): 800.74
    Polar Surface Area: 120 Å2
    Polarizability: 63.8±0.5 10-24cm3
    Surface Tension: 48.0±7.0 dyne/cm
    Molar Volume: 453.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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