ChemSpider 2D Image | N-{(7S)-1,2,3-Trimethoxy-9-oxo-10-[(2-oxo-2-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}ethyl)amino]-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamide | C36H42N4O6

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

  • Molecular FormulaC36H42N4O6
  • Average mass626.742 Da
  • Monoisotopic mass626.310425 Da
  • ChemSpider ID30716898

  • Double-bond stereo - Double-bond stereo

    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-[[2-oxo-2-[4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl]ethyl]amino]benzo[a]heptalen-7-yl]- [ACD/Index Name]
N-{(7S)-1,2,3-Trimethoxy-9-oxo-10-[(2-oxo-2-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}ethyl)amino]-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamid [German] [ACD/IUPAC Name]
N-{(7S)-1,2,3-Trimethoxy-9-oxo-10-[(2-oxo-2-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}ethyl)amino]-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamide [ACD/IUPAC Name]
N-{(7S)-1,2,3-Triméthoxy-9-oxo-10-[(2-oxo-2-{4-[(2E)-3-phényl-2-propén-1-yl]-1-pipérazinyl}éthyl)amino]-5,6,7,9-tétrahydrobenzo[a]heptalén-7-yl}acétamide [French] [ACD/IUPAC Name]
(S,E)-N-(10-((2-(4-cinnamylpiperazin-1-yl)-2-oxoethyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
N-[(7S)-1,2,3-trimethoxy-9-oxo-10-[[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]amino]-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: 932.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 135.8±3.0 kJ/mol
    Flash Point: 518.0±34.3 °C
    Index of Refraction: 1.637
    Molar Refractivity: 176.0±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 2.73
    ACD/LogD (pH 5.5): 2.13
    ACD/BCF (pH 5.5): 17.44
    ACD/KOC (pH 5.5): 180.57
    ACD/LogD (pH 7.4): 2.72
    ACD/BCF (pH 7.4): 68.55
    ACD/KOC (pH 7.4): 709.74
    Polar Surface Area: 109 Å2
    Polarizability: 69.8±0.5 10-24cm3
    Surface Tension: 60.4±5.0 dyne/cm
    Molar Volume: 490.2±5.0 cm3

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