ChemSpider 2D Image | N-{(7S)-1,2,3-Trimethoxy-9-oxo-10-[(2-phenylpropyl)amino]-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamide | C30H34N2O5

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

  • Molecular FormulaC30H34N2O5
  • Average mass502.601 Da
  • Monoisotopic mass502.246765 Da
  • ChemSpider ID17468346

  • 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-phenylpropyl)amino]benzo[a]heptalen-7-yl]- [ACD/Index Name]
N-{(7S)-1,2,3-Trimethoxy-9-oxo-10-[(2-phenylpropyl)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-phenylpropyl)amino]-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamide [ACD/IUPAC Name]
N-{(7S)-1,2,3-Triméthoxy-9-oxo-10-[(2-phénylpropyl)amino]-5,6,7,9-tétrahydrobenzo[a]heptalén-7-yl}acétamide [French] [ACD/IUPAC Name]
1173688-77-1 [RN]
N-[(7S)-1,2,3-trimethoxy-9-oxo-10-(2-phenylpropylamino)-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: 1.2±0.1 g/cm3
    Boiling Point: 793.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 115.3±3.0 kJ/mol
    Flash Point: 433.4±32.9 °C
    Index of Refraction: 1.610
    Molar Refractivity: 142.5±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 3.26
    ACD/LogD (pH 5.5): 3.60
    ACD/BCF (pH 5.5): 321.66
    ACD/KOC (pH 5.5): 2169.40
    ACD/LogD (pH 7.4): 3.60
    ACD/BCF (pH 7.4): 321.81
    ACD/KOC (pH 7.4): 2170.41
    Polar Surface Area: 86 Å2
    Polarizability: 56.5±0.5 10-24cm3
    Surface Tension: 52.9±5.0 dyne/cm
    Molar Volume: 410.8±5.0 cm3

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