ChemSpider 2D Image | 6-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(2,4-dimethoxyphenyl)hexanamide | C35H43N3O8

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

  • Molecular FormulaC35H43N3O8
  • Average mass633.731 Da
  • Monoisotopic mass633.304993 Da
  • ChemSpider ID30717078

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

6-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(2,4-dimethoxyphenyl)hexanamid [German] [ACD/IUPAC Name]
6-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(2,4-dimethoxyphenyl)hexanamide [ACD/IUPAC Name]
6-{[(7S)-7-Acétamido-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-10-yl]amino}-N-(2,4-diméthoxyphényl)hexanamide [French] [ACD/IUPAC Name]
Hexanamide, 6-[[(7S)-7-(acetylamino)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-10-yl]amino]-N-(2,4-dimethoxyphenyl)- [ACD/Index Name]
(S)-6-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(2,4-dimethoxyphenyl)hexanamide
1574390-04-7 [RN]
6-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-(2,4-dimethoxyphenyl)hexanamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 925.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 134.7±3.0 kJ/mol
    Flash Point: 513.7±34.3 °C
    Index of Refraction: 1.600
    Molar Refractivity: 172.9±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 3
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 2
    ACD/LogP: 2.38
    ACD/LogD (pH 5.5): 3.24
    ACD/BCF (pH 5.5): 171.18
    ACD/KOC (pH 5.5): 1380.41
    ACD/LogD (pH 7.4): 3.24
    ACD/BCF (pH 7.4): 171.60
    ACD/KOC (pH 7.4): 1383.81
    Polar Surface Area: 133 Å2
    Polarizability: 68.5±0.5 10-24cm3
    Surface Tension: 55.7±5.0 dyne/cm
    Molar Volume: 505.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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