ChemSpider 2D Image | 4-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[2-(1H-indol-3-yl)ethyl]butanamide | C35H40N4O6

4-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[2-(1H-indol-3-yl)ethyl]butanamide

  • Molecular FormulaC35H40N4O6
  • Average mass612.715 Da
  • Monoisotopic mass612.294800 Da
  • ChemSpider ID30717128

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[2-(1H-indol-3-yl)ethyl]butanamid [German] [ACD/IUPAC Name]
4-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[2-(1H-indol-3-yl)ethyl]butanamide [ACD/IUPAC Name]
4-{[(7S)-7-Acétamido-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-10-yl]amino}-N-[2-(1H-indol-3-yl)éthyl]butanamide [French] [ACD/IUPAC Name]
Butanamide, 4-[[(7S)-7-(acetylamino)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-10-yl]amino]-N-[2-(1H-indol-3-yl)ethyl]- [ACD/Index Name]
(S)-N-(2-(1H-indol-3-yl)ethyl)-4-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)butanamide
1574338-88-7 [RN]
4-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-[2-(1H-indol-3-yl)ethyl]butanamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 998.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 145.8±3.0 kJ/mol
    Flash Point: 557.4±34.3 °C
    Index of Refraction: 1.642
    Molar Refractivity: 171.6±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 2.02
    ACD/LogD (pH 5.5): 3.02
    ACD/BCF (pH 5.5): 115.83
    ACD/KOC (pH 5.5): 1044.27
    ACD/LogD (pH 7.4): 3.02
    ACD/BCF (pH 7.4): 115.90
    ACD/KOC (pH 7.4): 1044.89
    Polar Surface Area: 131 Å2
    Polarizability: 68.0±0.5 10-24cm3
    Surface Tension: 61.5±5.0 dyne/cm
    Molar Volume: 475.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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