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-isopropyl-1H-indol-4-yl)butanamide | C36H42N4O6

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

  • Molecular FormulaC36H42N4O6
  • Average mass626.742 Da
  • Monoisotopic mass626.310425 Da
  • ChemSpider ID30717460

  • 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-isopropyl-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-isopropyl-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-isopropyl-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-(1-methylethyl)-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-isopropyl-1H-indol-4-yl)butanamide
1574393-67-1 [RN]
4-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-(1-propan-2-ylindol-4-yl)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: 961.1±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: 535.0±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: 3.26
    ACD/LogD (pH 5.5): 3.80
    ACD/BCF (pH 5.5): 452.98
    ACD/KOC (pH 5.5): 2771.61
    ACD/LogD (pH 7.4): 3.80
    ACD/BCF (pH 7.4): 453.30
    ACD/KOC (pH 7.4): 2773.61
    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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