ChemSpider 2D Image | N-{3-[(4-Methylphenyl)sulfonyl]-1-pentyl-1H-pyrrolo[2,3-b]quinoxalin-2-yl}benzamide | C29H28N4O3S

N-{3-[(4-Methylphenyl)sulfonyl]-1-pentyl-1H-pyrrolo[2,3-b]quinoxalin-2-yl}benzamide

  • Molecular FormulaC29H28N4O3S
  • Average mass512.623 Da
  • Monoisotopic mass512.188232 Da
  • ChemSpider ID1466677

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

Benzamide, N-[3-[(4-methylphenyl)sulfonyl]-1-pentyl-1H-pyrrolo[2,3-b]quinoxalin-2-yl]- [ACD/Index Name]
N-{3-[(4-Methylphenyl)sulfonyl]-1-pentyl-1H-pyrrolo[2,3-b]chinoxalin-2-yl}benzamid [German] [ACD/IUPAC Name]
N-{3-[(4-Methylphenyl)sulfonyl]-1-pentyl-1H-pyrrolo[2,3-b]quinoxalin-2-yl}benzamide [ACD/IUPAC Name]
N-{3-[(4-Méthylphényl)sulfonyl]-1-pentyl-1H-pyrrolo[2,3-b]quinoxalin-2-yl}benzamide [French] [ACD/IUPAC Name]
374083-28-0 [RN]
AC1LYR0Q
AGN-PC-0KA6FG
AKOS005465510
MCULE-1438449666
MolPort-002-553-937
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ZINC02282271 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 677.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 99.4±3.0 kJ/mol
    Flash Point: 363.2±31.5 °C
    Index of Refraction: 1.661
    Molar Refractivity: 146.8±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 8.77
    ACD/LogD (pH 5.5): 7.20
    ACD/BCF (pH 5.5): 173485.64
    ACD/KOC (pH 5.5): 195811.28
    ACD/LogD (pH 7.4): 7.20
    ACD/BCF (pH 7.4): 173114.03
    ACD/KOC (pH 7.4): 195391.84
    Polar Surface Area: 102 Å2
    Polarizability: 58.2±0.5 10-24cm3
    Surface Tension: 51.8±7.0 dyne/cm
    Molar Volume: 397.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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