ChemSpider 2D Image | N-[(7S)-1,2,3-Trimethoxy-9-oxo-10-{[2-oxo-2-(2-phenyl-4-morpholinyl)ethyl]amino}-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide | C33H37N3O7

N-[(7S)-1,2,3-Trimethoxy-9-oxo-10-{[2-oxo-2-(2-phenyl-4-morpholinyl)ethyl]amino}-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

  • Molecular FormulaC33H37N3O7
  • Average mass587.663 Da
  • Monoisotopic mass587.263123 Da
  • ChemSpider ID30718082

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Acetamide, N-[(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxo-10-[[2-oxo-2-(2-phenyl-4-morpholinyl)ethyl]amino]benzo[a]heptalen-7-yl]- [ACD/Index Name]
N-[(7S)-1,2,3-Trimethoxy-9-oxo-10-{[2-oxo-2-(2-phenyl-4-morpholinyl)ethyl]amino}-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamid [German] [ACD/IUPAC Name]
N-[(7S)-1,2,3-Trimethoxy-9-oxo-10-{[2-oxo-2-(2-phenyl-4-morpholinyl)ethyl]amino}-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide [ACD/IUPAC Name]
N-[(7S)-1,2,3-Triméthoxy-9-oxo-10-{[2-oxo-2-(2-phényl-4-morpholinyl)éthyl]amino}-5,6,7,9-tétrahydrobenzo[a]heptalén-7-yl]acétamide [French] [ACD/IUPAC Name]
1574252-85-9 [RN]
N-((7S)-1,2,3-trimethoxy-9-oxo-10-((2-oxo-2-(2-phenylmorpholino)ethyl)amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
N-[(7S)-1,2,3-trimethoxy-9-oxo-10-[[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]amino]-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 914.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 133.1±3.0 kJ/mol
    Flash Point: 507.0±34.3 °C
    Index of Refraction: 1.631
    Molar Refractivity: 160.1±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 2.62
    ACD/LogD (pH 5.5): 2.73
    ACD/BCF (pH 5.5): 69.97
    ACD/KOC (pH 5.5): 728.15
    ACD/LogD (pH 7.4): 2.73
    ACD/BCF (pH 7.4): 69.98
    ACD/KOC (pH 7.4): 728.16
    Polar Surface Area: 115 Å2
    Polarizability: 63.5±0.5 10-24cm3
    Surface Tension: 60.1±5.0 dyne/cm
    Molar Volume: 449.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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