ChemSpider 2D Image | N-{3-[(4-Methylphenyl)sulfonyl]-1-pentyl-1H-pyrrolo[2,3-b]quinoxalin-2-yl}-2-furamide | C27H26N4O4S

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

  • Molecular FormulaC27H26N4O4S
  • Average mass502.585 Da
  • Monoisotopic mass502.167480 Da
  • ChemSpider ID1466592

More details:

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

2-Furancarboxamide, 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}-2-furamid [German] [ACD/IUPAC Name]
N-{3-[(4-Methylphenyl)sulfonyl]-1-pentyl-1H-pyrrolo[2,3-b]quinoxalin-2-yl}-2-furamide [ACD/IUPAC Name]
N-{3-[(4-Méthylphényl)sulfonyl]-1-pentyl-1H-pyrrolo[2,3-b]quinoxalin-2-yl}-2-furamide [French] [ACD/IUPAC Name]
373620-02-1 [RN]
AC1LYQT0
AGN-PC-0KA6DY
CHEMBL1335254
Furan-2-carboxylic acid [1-pentyl-3-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]-amide
MLS002581359
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MLS000595308 [DBID]
SMR000149831 [DBID]
ZINC02282122 [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: 663.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 97.6±3.0 kJ/mol
    Flash Point: 354.9±31.5 °C
    Index of Refraction: 1.672
    Molar Refractivity: 139.0±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 8.53
    ACD/LogD (pH 5.5): 6.65
    ACD/BCF (pH 5.5): 66608.07
    ACD/KOC (pH 5.5): 98685.67
    ACD/LogD (pH 7.4): 6.65
    ACD/BCF (pH 7.4): 66307.66
    ACD/KOC (pH 7.4): 98240.59
    Polar Surface Area: 115 Å2
    Polarizability: 55.1±0.5 10-24cm3
    Surface Tension: 54.1±7.0 dyne/cm
    Molar Volume: 371.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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