ChemSpider 2D Image | Ethyl 5,6-dimethoxy-3-[(3-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}propanoyl)amino]-1H-indole-2-carboxylate | C29H36N4O5

Ethyl 5,6-dimethoxy-3-[(3-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}propanoyl)amino]-1H-indole-2-carboxylate

  • Molecular FormulaC29H36N4O5
  • Average mass520.620 Da
  • Monoisotopic mass520.268555 Da
  • ChemSpider ID4750254

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Indole-2-carboxylic acid, 5,6-dimethoxy-3-[[1-oxo-3-[4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl]propyl]amino]-, ethyl ester [ACD/Index Name]
5,6-Diméthoxy-3-[(3-{4-[(2E)-3-phényl-2-propén-1-yl]-1-pipérazinyl}propanoyl)amino]-1H-indole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5,6-dimethoxy-3-[(3-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}propanoyl)amino]-1H-indole-2-carboxylate [ACD/IUPAC Name]
Ethyl-5,6-dimethoxy-3-[(3-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}propanoyl)amino]-1H-indol-2-carboxylat [German] [ACD/IUPAC Name]
799831-36-0 [RN]
ethyl 5,6-dimethoxy-3-[(3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propanoyl)amino]-1H-indole-2-carboxylate
ethyl 5,6-dimethoxy-3-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 754.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 110.0±3.0 kJ/mol
    Flash Point: 410.3±32.9 °C
    Index of Refraction: 1.629
    Molar Refractivity: 150.9±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 1
    ACD/LogP: 3.74
    ACD/LogD (pH 5.5): 2.06
    ACD/BCF (pH 5.5): 8.46
    ACD/KOC (pH 5.5): 53.07
    ACD/LogD (pH 7.4): 3.54
    ACD/BCF (pH 7.4): 255.36
    ACD/KOC (pH 7.4): 1601.50
    Polar Surface Area: 96 Å2
    Polarizability: 59.8±0.5 10-24cm3
    Surface Tension: 53.6±3.0 dyne/cm
    Molar Volume: 424.9±3.0 cm3

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