ChemSpider 2D Image | MFCD02997967 | C27H33N3O6S

MFCD02997967

  • Molecular FormulaC27H33N3O6S
  • Average mass527.632 Da
  • Monoisotopic mass527.208984 Da
  • ChemSpider ID12232962

More details:

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

4-({4-Hydroxy-2-(4-methylphenyl)-1-[3-(4-morpholinyl)propyl]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-N,N-dimethylbenzenesulfonamide [ACD/IUPAC Name]
4-({4-Hydroxy-2-(4-méthylphényl)-1-[3-(4-morpholinyl)propyl]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-N,N-diméthylbenzènesulfonamide [French] [ACD/IUPAC Name]
4-({4-Hydroxy-2-(4-methylphenyl)-1-[3-(4-morpholinyl)propyl]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-N,N-dimethylbenzolsulfonamid [German] [ACD/IUPAC Name]
4-({4-hydroxy-2-(4-methylphenyl)-1-[3-(morpholin-4-yl)propyl]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-N,N-dimethylbenzenesulfonamide
Benzenesulfonamide, 4-[[2,5-dihydro-4-hydroxy-2-(4-methylphenyl)-1-[3-(4-morpholinyl)propyl]-5-oxo-1H-pyrrol-3-yl]carbonyl]-N,N-dimethyl- [ACD/Index Name]
MFCD02997967
381714-16-5 [RN]
4-({4-[(dimethylamino)sulfonyl]phenyl}carbonyl)-3-hydroxy-5-(4-methylphenyl)-1-(3-morpholin-4-ylpropyl)-3-pyrrolin-2-one
4-(4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2-(p-tolyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide
4-[4-hydroxy-2-(4-methylphenyl)-1-[3-(morpholin-4-yl)propyl]-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl]-N,N-dimethylbenzene-1-sulfonamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 732.6±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 112.2±3.0 kJ/mol
    Flash Point: 396.8±35.7 °C
    Index of Refraction: 1.610
    Molar Refractivity: 140.2±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 2.73
    ACD/LogD (pH 5.5): -0.26
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.46
    ACD/LogD (pH 7.4): -0.57
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 116 Å2
    Polarizability: 55.6±0.5 10-24cm3
    Surface Tension: 54.9±3.0 dyne/cm
    Molar Volume: 404.2±3.0 cm3

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