ChemSpider 2D Image | Ethyl 4-({[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl}amino)-5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate | C28H34N4O6

Ethyl 4-({[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl}amino)-5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate

  • Molecular FormulaC28H34N4O6
  • Average mass522.593 Da
  • Monoisotopic mass522.247864 Da
  • ChemSpider ID3519739

More details:

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

1H-Indole-3-carboxylic acid, 4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl]amino]-5-methoxy-1,2-dimethyl-, ethyl ester [ACD/Index Name]
4-({2-[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]acétyl}amino)-5-méthoxy-1,2-diméthyl-1H-indole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-({[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl}amino)-5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate [ACD/IUPAC Name]
Ethyl-4-({[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl}amino)-5-methoxy-1,2-dimethyl-1H-indol-3-carboxylat [German] [ACD/IUPAC Name]
848993-28-2 [RN]
ethyl 4-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate
ethyl 4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 694.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.7±3.0 kJ/mol
    Flash Point: 373.7±31.5 °C
    Index of Refraction: 1.630
    Molar Refractivity: 140.3±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 3.55
    ACD/LogD (pH 5.5): 2.54
    ACD/BCF (pH 5.5): 30.07
    ACD/KOC (pH 5.5): 215.01
    ACD/LogD (pH 7.4): 3.44
    ACD/BCF (pH 7.4): 238.55
    ACD/KOC (pH 7.4): 1706.02
    Polar Surface Area: 95 Å2
    Polarizability: 55.6±0.5 10-24cm3
    Surface Tension: 48.7±7.0 dyne/cm
    Molar Volume: 394.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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