ChemSpider 2D Image | 4-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(2-furylmethyl)butanamide | C30H35N3O7

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

  • Molecular FormulaC30H35N3O7
  • Average mass549.615 Da
  • Monoisotopic mass549.247498 Da
  • ChemSpider ID30717080

  • 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-(2-furylmethyl)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-(2-furylmethyl)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-(2-furylméthyl)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-(2-furanylmethyl)- [ACD/Index Name]
(S)-4-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(furan-2-ylmethyl)butanamide
1574342-85-0 [RN]
4-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-(furan-2-ylmethyl)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: 908.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 132.1±3.0 kJ/mol
    Flash Point: 503.2±34.3 °C
    Index of Refraction: 1.606
    Molar Refractivity: 148.0±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 0.88
    ACD/LogD (pH 5.5): 1.95
    ACD/BCF (pH 5.5): 17.97
    ACD/KOC (pH 5.5): 275.08
    ACD/LogD (pH 7.4): 1.95
    ACD/BCF (pH 7.4): 17.98
    ACD/KOC (pH 7.4): 275.24
    Polar Surface Area: 128 Å2
    Polarizability: 58.7±0.5 10-24cm3
    Surface Tension: 57.0±5.0 dyne/cm
    Molar Volume: 429.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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