ChemSpider 2D Image | N-[(7S)-10-(4-Benzyl-1-piperazinyl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide | C32H37N3O5

N-[(7S)-10-(4-Benzyl-1-piperazinyl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

  • Molecular FormulaC32H37N3O5
  • Average mass543.653 Da
  • Monoisotopic mass543.273315 Da
  • ChemSpider ID22875446

  • defined stereocentres - 1 of 1 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-[4-(phenylmethyl)-1-piperazinyl]benzo[a]heptalen-7-yl]- [ACD/Index Name]
N-[(7S)-10-(4-Benzyl-1-piperazinyl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamid [German] [ACD/IUPAC Name]
N-[(7S)-10-(4-Benzyl-1-piperazinyl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide [ACD/IUPAC Name]
N-[(7S)-10-(4-Benzyl-1-pipérazinyl)-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-7-yl]acétamide [French] [ACD/IUPAC Name]
1173667-75-8 [RN]
AC1O478N
MCULE-2965763171
MolPort-002-529-506
N-[(7S)-10-(4-benzylpiperazin-1-yl)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
STOCK1N-57437

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 805.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 117.1±3.0 kJ/mol
    Flash Point: 440.8±34.3 °C
    Index of Refraction: 1.637
    Molar Refractivity: 153.8±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 2.93
    ACD/LogD (pH 5.5): 2.07
    ACD/BCF (pH 5.5): 13.52
    ACD/KOC (pH 5.5): 126.62
    ACD/LogD (pH 7.4): 2.91
    ACD/BCF (pH 7.4): 93.73
    ACD/KOC (pH 7.4): 877.68
    Polar Surface Area: 80 Å2
    Polarizability: 61.0±0.5 10-24cm3
    Surface Tension: 58.4±5.0 dyne/cm
    Molar Volume: 428.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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