ChemSpider 2D Image | Pentyl 2-[(2-chlorobenzoyl)amino]-1-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate | C30H27ClN4O4

Pentyl 2-[(2-chlorobenzoyl)amino]-1-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate

  • Molecular FormulaC30H27ClN4O4
  • Average mass543.013 Da
  • Monoisotopic mass542.172058 Da
  • ChemSpider ID1516568

More details:

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

1H-Pyrrolo[2,3-b]quinoxaline-3-carboxylic acid, 2-[(2-chlorobenzoyl)amino]-1-(4-methoxyphenyl)-, pentyl ester [ACD/Index Name]
2-[(2-Chlorobenzoyl)amino]-1-(4-méthoxyphényl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate de pentyle [French] [ACD/IUPAC Name]
Pentyl 2-[(2-chlorobenzoyl)amino]-1-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate [ACD/IUPAC Name]
Pentyl-2-[(2-chlorbenzoyl)amino]-1-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]chinoxalin-3-carboxylat [German] [ACD/IUPAC Name]
385832-20-2 [RN]
pentyl 2-[(2-chlorobenzoyl)amino]-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
pentyl 2-[(2-chlorophenyl)carbonylamino]-1-(4-methoxyphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxylate
pentyl 2-{[(2-chlorophenyl)carbonyl]amino}-1-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-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: 621.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 92.1±3.0 kJ/mol
    Flash Point: 329.6±31.5 °C
    Index of Refraction: 1.647
    Molar Refractivity: 149.9±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 8.06
    ACD/LogD (pH 5.5): 7.18
    ACD/BCF (pH 5.5): 168053.72
    ACD/KOC (pH 5.5): 191403.14
    ACD/LogD (pH 7.4): 7.18
    ACD/BCF (pH 7.4): 167761.70
    ACD/KOC (pH 7.4): 191070.55
    Polar Surface Area: 95 Å2
    Polarizability: 59.4±0.5 10-24cm3
    Surface Tension: 49.9±7.0 dyne/cm
    Molar Volume: 412.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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