ChemSpider 2D Image | 2-Amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-butoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide | C29H27N5O4

2-Amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-butoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

  • Molecular FormulaC29H27N5O4
  • Average mass509.556 Da
  • Monoisotopic mass509.206299 Da
  • ChemSpider ID1471188

More details:

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

1H-Pyrrolo[2,3-b]quinoxaline-3-carboxamide, 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-butoxyphenyl)- [ACD/Index Name]
2-Amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-butoxyphenyl)-1H-pyrrolo[2,3-b]chinoxalin-3-carboxamid [German] [ACD/IUPAC Name]
2-Amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-butoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide [ACD/IUPAC Name]
2-Amino-N-(1,3-benzodioxol-5-ylméthyl)-1-(4-butoxyphényl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide [French] [ACD/IUPAC Name]
2-AMINO-N-(1,3-BENZODIOXOL-5-YLMETHYL)-1-(4-BUTOXYPHENYL)PYRROLO[2,3-B]QUINOXALINE-3-CARBOXAMIDE
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-butoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
376623-60-8 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 703.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.0±3.0 kJ/mol
    Flash Point: 379.3±32.9 °C
    Index of Refraction: 1.697
    Molar Refractivity: 140.8±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 5.39
    ACD/LogD (pH 5.5): 4.47
    ACD/BCF (pH 5.5): 1463.48
    ACD/KOC (pH 5.5): 6415.79
    ACD/LogD (pH 7.4): 4.47
    ACD/BCF (pH 7.4): 1464.86
    ACD/KOC (pH 7.4): 6421.84
    Polar Surface Area: 114 Å2
    Polarizability: 55.8±0.5 10-24cm3
    Surface Tension: 56.5±7.0 dyne/cm
    Molar Volume: 365.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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