ChemSpider 2D Image | N-(10-{[1-(4-Benzyl-1-piperazinyl)-3-methyl-1-oxo-2-butanyl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide | C37H46N4O6

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

  • Molecular FormulaC37H46N4O6
  • Average mass642.784 Da
  • Monoisotopic mass642.341736 Da
  • ChemSpider ID60759630

More details:

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

Acetamide, N-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-[[2-methyl-1-[[4-(phenylmethyl)-1-piperazinyl]carbonyl]propyl]amino]-9-oxobenzo[a]heptalen-7-yl]- [ACD/Index Name]
N-(10-{[1-(4-Benzyl-1-piperazinyl)-3-methyl-1-oxo-2-butanyl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamid [German] [ACD/IUPAC Name]
N-(10-{[1-(4-Benzyl-1-piperazinyl)-3-methyl-1-oxo-2-butanyl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide [ACD/IUPAC Name]
N-(10-{[1-(4-Benzyl-1-pipérazinyl)-3-méthyl-1-oxo-2-butanyl]amino}-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-7-yl)acétamide [French] [ACD/IUPAC Name]
2058397-57-0 [RN]
N-[10-[[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]amino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-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: 895.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 130.1±3.0 kJ/mol
    Flash Point: 495.2±34.3 °C
    Index of Refraction: 1.620
    Molar Refractivity: 180.7±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 3.27
    ACD/LogD (pH 5.5): 2.89
    ACD/BCF (pH 5.5): 75.07
    ACD/KOC (pH 5.5): 593.13
    ACD/LogD (pH 7.4): 3.28
    ACD/BCF (pH 7.4): 181.05
    ACD/KOC (pH 7.4): 1430.53
    Polar Surface Area: 109 Å2
    Polarizability: 71.6±0.5 10-24cm3
    Surface Tension: 57.4±5.0 dyne/cm
    Molar Volume: 514.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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