ChemSpider 2D Image | N-(10-{[2-(1H-Indol-3-yl)ethyl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide | C31H33N3O5

N-(10-{[2-(1H-Indol-3-yl)ethyl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide

  • Molecular FormulaC31H33N3O5
  • Average mass527.611 Da
  • Monoisotopic mass527.242004 Da
  • ChemSpider ID2909911

More details:

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

Acetamide, N-[5,6,7,9-tetrahydro-10-[[2-(1H-indol-3-yl)ethyl]amino]-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-7-yl]- [ACD/Index Name]
N-(10-{[2-(1H-Indol-3-yl)ethyl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamid [German] [ACD/IUPAC Name]
N-(10-{[2-(1H-Indol-3-yl)ethyl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide [ACD/IUPAC Name]
N-(10-{[2-(1H-Indol-3-yl)éthyl]amino}-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-7-yl)acétamide [French] [ACD/IUPAC Name]
892674-15-6 [RN]
N-[10-[2-(1H-indol-3-yl)ethylamino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
N-{10-[2-(1H-Indol-3-yl)-ethylamino]-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydro-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: 884.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 128.5±3.0 kJ/mol
    Flash Point: 488.5±34.3 °C
    Index of Refraction: 1.656
    Molar Refractivity: 149.3±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 2.84
    ACD/LogD (pH 5.5): 3.53
    ACD/BCF (pH 5.5): 280.85
    ACD/KOC (pH 5.5): 1967.83
    ACD/LogD (pH 7.4): 3.53
    ACD/BCF (pH 7.4): 281.40
    ACD/KOC (pH 7.4): 1971.63
    Polar Surface Area: 102 Å2
    Polarizability: 59.2±0.5 10-24cm3
    Surface Tension: 60.9±5.0 dyne/cm
    Molar Volume: 406.7±5.0 cm3

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