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-pyridinylmethyl)hexanamide | C33H40N4O6

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

  • Molecular FormulaC33H40N4O6
  • Average mass588.694 Da
  • Monoisotopic mass588.294800 Da
  • ChemSpider ID32511802

  • 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-pyridinylmethyl)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-pyridinylmethyl)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-pyridinylméthyl)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-pyridinylmethyl)- [ACD/Index Name]
1630910-44-9 [RN]
6-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-(pyridin-2-ylmethyl)hexanamide

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 931.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 135.7±3.0 kJ/mol
    Flash Point: 517.4±34.3 °C
    Index of Refraction: 1.606
    Molar Refractivity: 162.6±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 0.75
    ACD/LogD (pH 5.5): 2.09
    ACD/BCF (pH 5.5): 22.36
    ACD/KOC (pH 5.5): 316.63
    ACD/LogD (pH 7.4): 2.11
    ACD/BCF (pH 7.4): 23.66
    ACD/KOC (pH 7.4): 335.02
    Polar Surface Area: 128 Å2
    Polarizability: 64.5±0.5 10-24cm3
    Surface Tension: 57.7±5.0 dyne/cm
    Molar Volume: 471.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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