ChemSpider 2D Image | N~2~-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(1-methyl-1H-pyrazol-4-yl)glycinamide | C27H31N5O6

N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(1-methyl-1H-pyrazol-4-yl)glycinamide

  • Molecular FormulaC27H31N5O6
  • Average mass521.565 Da
  • Monoisotopic mass521.227417 Da
  • ChemSpider ID34497185

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acetamide, 2-[[(7S)-7-(acetylamino)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-10-yl]amino]-N-(1-methyl-1H-pyrazol-4-yl)- [ACD/Index Name]
N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(1-methyl-1H-pyrazol-4-yl)glycinamid [German] [ACD/IUPAC Name]
N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(1-methyl-1H-pyrazol-4-yl)glycinamide [ACD/IUPAC Name]
N2-[(7S)-7-Acétamido-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-10-yl]-N-(1-méthyl-1H-pyrazol-4-yl)glycinamide [French] [ACD/IUPAC Name]
(S)-2-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(1-methyl-1H-pyrazol-4-yl)acetamide
1676107-56-4 [RN]
2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-(1-methylpyrazol-4-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: 918.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 133.7±3.0 kJ/mol
    Flash Point: 509.3±34.3 °C
    Index of Refraction: 1.632
    Molar Refractivity: 138.8±0.5 cm3
    #H bond acceptors: 11
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 0.36
    ACD/LogD (pH 5.5): 0.86
    ACD/BCF (pH 5.5): 2.65
    ACD/KOC (pH 5.5): 69.98
    ACD/LogD (pH 7.4): 0.86
    ACD/BCF (pH 7.4): 2.65
    ACD/KOC (pH 7.4): 70.00
    Polar Surface Area: 133 Å2
    Polarizability: 55.0±0.5 10-24cm3
    Surface Tension: 48.7±7.0 dyne/cm
    Molar Volume: 389.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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