ChemSpider 2D Image | N-[(7S)-10-{[(2S)-1-(4-Benzyl-1-piperazinyl)-1-oxo-2-propanyl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide | C35H42N4O6

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

  • Molecular FormulaC35H42N4O6
  • Average mass614.731 Da
  • Monoisotopic mass614.310425 Da
  • ChemSpider ID30717939

  • defined stereocentres - 2 of 2 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)-1-methyl-2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]-9-oxobenzo[a]heptalen-7-yl]- [ACD/Index Name]
N-[(7S)-10-{[(2S)-1-(4-Benzyl-1-piperazinyl)-1-oxo-2-propanyl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamid [German] [ACD/IUPAC Name]
N-[(7S)-10-{[(2S)-1-(4-Benzyl-1-piperazinyl)-1-oxo-2-propanyl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide [ACD/IUPAC Name]
N-[(7S)-10-{[(2S)-1-(4-Benzyl-1-pipérazinyl)-1-oxo-2-propanyl]amino}-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-7-yl]acétamide [French] [ACD/IUPAC Name]
1574293-06-3 [RN]
N-((S)-10-(((S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
N-[(7S)-10-[[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-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: 891.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 129.6±3.0 kJ/mol
    Flash Point: 492.8±34.3 °C
    Index of Refraction: 1.631
    Molar Refractivity: 171.5±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 2.39
    ACD/LogD (pH 5.5): 2.24
    ACD/BCF (pH 5.5): 23.85
    ACD/KOC (pH 5.5): 258.85
    ACD/LogD (pH 7.4): 2.64
    ACD/BCF (pH 7.4): 59.23
    ACD/KOC (pH 7.4): 642.75
    Polar Surface Area: 109 Å2
    Polarizability: 68.0±0.5 10-24cm3
    Surface Tension: 59.4±5.0 dyne/cm
    Molar Volume: 481.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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