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

N-[(7S)-1,2,3-Trimethoxy-10-{[(2S,3R)-3-methyl-1-oxo-1-(4-phenyl-1-piperazinyl)-2-pentanyl]amino}-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

  • Molecular FormulaC37H46N4O6
  • Average mass642.784 Da
  • Monoisotopic mass642.341736 Da
  • ChemSpider ID30717384

  • defined stereocentres - 3 of 3 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-10-[[(1S,2R)-2-methyl-1-[(4-phenyl-1-piperazinyl)carbonyl]butyl]amino]-9-oxobenzo[a]heptalen-7-yl]- [ACD/Index Name]
N-[(7S)-1,2,3-Trimethoxy-10-{[(2S,3R)-3-methyl-1-oxo-1-(4-phenyl-1-piperazinyl)-2-pentanyl]amino}-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamid [German] [ACD/IUPAC Name]
N-[(7S)-1,2,3-Trimethoxy-10-{[(2S,3R)-3-methyl-1-oxo-1-(4-phenyl-1-piperazinyl)-2-pentanyl]amino}-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide [ACD/IUPAC Name]
N-[(7S)-1,2,3-Triméthoxy-10-{[(2S,3R)-3-méthyl-1-oxo-1-(4-phényl-1-pipérazinyl)-2-pentanyl]amino}-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-7-yl]acétamide [French] [ACD/IUPAC Name]
1574392-89-4 [RN]
N-((S)-1,2,3-trimethoxy-10-(((2S,3R)-3-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl)amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
N-[(7S)-1,2,3-trimethoxy-10-[[(2S,3R)-3-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]amino]-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: 916.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 133.3±3.0 kJ/mol
    Flash Point: 507.8±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: 3.57
    ACD/LogD (pH 5.5): 3.58
    ACD/BCF (pH 5.5): 311.39
    ACD/KOC (pH 5.5): 2117.27
    ACD/LogD (pH 7.4): 3.59
    ACD/BCF (pH 7.4): 312.71
    ACD/KOC (pH 7.4): 2126.30
    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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