ChemSpider 2D Image | 2-Amino-1-dodecyl-N-(4-methoxybenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide | C31H41N5O2

2-Amino-1-dodecyl-N-(4-methoxybenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

  • Molecular FormulaC31H41N5O2
  • Average mass515.690 Da
  • Monoisotopic mass515.326050 Da
  • ChemSpider ID2552404

More details:

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

1H-Pyrrolo[2,3-b]quinoxaline-3-carboxamide, 2-amino-1-dodecyl-N-[(4-methoxyphenyl)methyl]- [ACD/Index Name]
2-Amino-1-dodecyl-N-(4-methoxybenzyl)-1H-pyrrolo[2,3-b]chinoxalin-3-carboxamid [German] [ACD/IUPAC Name]
2-Amino-1-dodecyl-N-(4-methoxybenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide [ACD/IUPAC Name]
2-Amino-1-dodécyl-N-(4-méthoxybenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide [French] [ACD/IUPAC Name]
(2-amino-1-dodecylpyrrolo[3,2-b]quinoxalin-3-yl)-N-[(4-methoxyphenyl)methyl]carboxamide
2-amino-1-dodecyl-N-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
573936-33-1 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 741.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 108.1±3.0 kJ/mol
    Flash Point: 402.1±32.9 °C
    Index of Refraction: 1.607
    Molar Refractivity: 152.1±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 2
    ACD/LogP: 9.06
    ACD/LogD (pH 5.5): 8.70
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 1287199.50
    ACD/LogD (pH 7.4): 8.70
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 1289928.63
    Polar Surface Area: 95 Å2
    Polarizability: 60.3±0.5 10-24cm3
    Surface Tension: 45.2±7.0 dyne/cm
    Molar Volume: 440.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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