ChemSpider 2D Image | Dimethyl 3,3'-{2-[2-amino-4-(methoxycarbonyl)phenyl]-1,1-ethanediyl}bis(1H-indole-6-carboxylate) | C30H27N3O6

Dimethyl 3,3'-{2-[2-amino-4-(methoxycarbonyl)phenyl]-1,1-ethanediyl}bis(1H-indole-6-carboxylate)

  • Molecular FormulaC30H27N3O6
  • Average mass525.552 Da
  • Monoisotopic mass525.190002 Da
  • ChemSpider ID21370138

More details:

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

1H-Indole-6-carboxylic acid, 3,3'-[2-[2-amino-4-(methoxycarbonyl)phenyl]ethylidene]bis-, dimethyl ester [ACD/Index Name]
3,3'-{2-[2-Amino-4-(méthoxycarbonyl)phényl]-1,1-éthanediyl}bis(1H-indole-6-carboxylate) de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 3,3'-{2-[2-amino-4-(methoxycarbonyl)phenyl]-1,1-ethanediyl}bis(1H-indole-6-carboxylate) [ACD/IUPAC Name]
Dimethyl-3,3'-{2-[2-amino-4-(methoxycarbonyl)phenyl]-1,1-ethandiyl}bis(1H-indol-6-carboxylat) [German] [ACD/IUPAC Name]
951950-12-2 [RN]
methyl 3-[2-(2-amino-4-methoxycarbonylphenyl)-1-(6-methoxycarbonyl-1H-indol-3-yl)ethyl]-1H-indole-6-carboxylate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 743.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 108.5±3.0 kJ/mol
    Flash Point: 403.7±32.9 °C
    Index of Refraction: 1.694
    Molar Refractivity: 148.8±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 4.74
    ACD/LogD (pH 5.5): 5.31
    ACD/BCF (pH 5.5): 6393.69
    ACD/KOC (pH 5.5): 18400.20
    ACD/LogD (pH 7.4): 5.31
    ACD/BCF (pH 7.4): 6441.24
    ACD/KOC (pH 7.4): 18537.05
    Polar Surface Area: 137 Å2
    Polarizability: 59.0±0.5 10-24cm3
    Surface Tension: 64.0±3.0 dyne/cm
    Molar Volume: 387.6±3.0 cm3

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