ChemSpider 2D Image | 4-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(1-methyl-1H-indol-4-yl)butanamide | C34H38N4O6

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

  • Molecular FormulaC34H38N4O6
  • Average mass598.689 Da
  • Monoisotopic mass598.279114 Da
  • ChemSpider ID30717109

  • 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-(1-methyl-1H-indol-4-yl)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-(1-methyl-1H-indol-4-yl)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-(1-méthyl-1H-indol-4-yl)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-(1-methyl-1H-indol-4-yl)- [ACD/Index Name]
(S)-4-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(1-methyl-1H-indol-4-yl)butanamide
1574289-68-1 [RN]
4-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-(1-methylindol-4-yl)butanamide
MolPort-029-885-273

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 969.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 141.3±3.0 kJ/mol
    Flash Point: 539.9±34.3 °C
    Index of Refraction: 1.625
    Molar Refractivity: 165.4±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 2.38
    ACD/LogD (pH 5.5): 3.11
    ACD/BCF (pH 5.5): 136.37
    ACD/KOC (pH 5.5): 1173.69
    ACD/LogD (pH 7.4): 3.11
    ACD/BCF (pH 7.4): 136.48
    ACD/KOC (pH 7.4): 1174.57
    Polar Surface Area: 120 Å2
    Polarizability: 65.6±0.5 10-24cm3
    Surface Tension: 46.7±7.0 dyne/cm
    Molar Volume: 468.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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