ChemSpider 2D Image | 4-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)butanamide | C33H41N3O6

4-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)butanamide

  • Molecular FormulaC33H41N3O6
  • Average mass575.695 Da
  • Monoisotopic mass575.299561 Da
  • ChemSpider ID30717819

  • defined stereocentres - 1 of 4 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-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)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-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)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-(bicyclo[2.2.1]hept-5-én-2-ylméthyl)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-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)- [ACD/Index Name]
1574252-78-0 [RN]
4-(((S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-((2R)-bicyclo[2.2.1]hept-5-en-2-ylmethyl)butanamide
4-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-(5-bicyclo[2.2.1]hept-2-enylmethyl)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: 907.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 132.0±3.0 kJ/mol
    Flash Point: 502.9±34.3 °C
    Index of Refraction: 1.610
    Molar Refractivity: 159.0±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 1.98
    ACD/LogD (pH 5.5): 2.48
    ACD/BCF (pH 5.5): 45.59
    ACD/KOC (pH 5.5): 535.75
    ACD/LogD (pH 7.4): 2.49
    ACD/BCF (pH 7.4): 45.62
    ACD/KOC (pH 7.4): 536.06
    Polar Surface Area: 115 Å2
    Polarizability: 63.0±0.5 10-24cm3
    Surface Tension: 55.8±5.0 dyne/cm
    Molar Volume: 458.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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