ChemSpider 2D Image | N~2~-(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)-N-[2-(1H-indol-1-yl)ethyl]valinamide | C36H42N4O6

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

  • Molecular FormulaC36H42N4O6
  • Average mass626.742 Da
  • Monoisotopic mass626.310425 Da
  • ChemSpider ID60759256

More details:

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

Butanamide, 2-[[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]-3-methyl- [ACD/Index Name]
N2-(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)-N-[2-(1H-indol-1-yl)ethyl]valinamid [German] [ACD/IUPAC Name]
N2-(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)-N-[2-(1H-indol-1-yl)ethyl]valinamide [ACD/IUPAC Name]
N2-(7-Acétamido-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-10-yl)-N-[2-(1H-indol-1-yl)éthyl]valinamide [French] [ACD/IUPAC Name]
2-[(7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl)amino]-N-(2-indol-1-ylethyl)-3-methylbutanamide
2058360-33-9 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 954.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 139.1±3.0 kJ/mol
    Flash Point: 531.2±34.3 °C
    Index of Refraction: 1.616
    Molar Refractivity: 174.4±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 3.54
    ACD/LogD (pH 5.5): 3.77
    ACD/BCF (pH 5.5): 432.78
    ACD/KOC (pH 5.5): 2683.13
    ACD/LogD (pH 7.4): 3.77
    ACD/BCF (pH 7.4): 432.78
    ACD/KOC (pH 7.4): 2683.14
    Polar Surface Area: 120 Å2
    Polarizability: 69.2±0.5 10-24cm3
    Surface Tension: 45.0±7.0 dyne/cm
    Molar Volume: 499.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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