ChemSpider 2D Image | N-{1-Butyl-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-2-yl}-4-methylbenzenesulfonamide | C28H28N4O4S2

N-{1-Butyl-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-2-yl}-4-methylbenzenesulfonamide

  • Molecular FormulaC28H28N4O4S2
  • Average mass548.676 Da
  • Monoisotopic mass548.155212 Da
  • ChemSpider ID1467796

More details:

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

Benzenesulfonamide, N-[1-butyl-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-2-yl]-4-methyl- [ACD/Index Name]
N-{1-Butyl-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]chinoxalin-2-yl}-4-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
N-{1-Butyl-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-2-yl}-4-methylbenzenesulfonamide [ACD/IUPAC Name]
N-{1-Butyl-3-[(4-méthylphényl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-2-yl}-4-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
377050-15-2 [RN]
N-[1-butyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]-4-methylbenzenesulfonamide

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

ZINC02284873 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 770.6±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 112.2±3.0 kJ/mol
    Flash Point: 419.9±35.7 °C
    Index of Refraction: 1.672
    Molar Refractivity: 150.9±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 8.66
    ACD/LogD (pH 5.5): 6.02
    ACD/BCF (pH 5.5): 22001.73
    ACD/KOC (pH 5.5): 44007.97
    ACD/LogD (pH 7.4): 5.34
    ACD/BCF (pH 7.4): 4590.86
    ACD/KOC (pH 7.4): 9182.66
    Polar Surface Area: 128 Å2
    Polarizability: 59.8±0.5 10-24cm3
    Surface Tension: 54.4±7.0 dyne/cm
    Molar Volume: 403.0±7.0 cm3

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