ChemSpider 2D Image | MFCD03017261 | C28H28N2O5S

MFCD03017261

  • Molecular FormulaC28H28N2O5S
  • Average mass504.597 Da
  • Monoisotopic mass504.171906 Da
  • ChemSpider ID12274904

More details:

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

2-[3-Hydroxy-5-(4-isopropylphényl)-4-(4-méthylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-méthyl-1,3-thiazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-[2,5-dihydro-3-hydroxy-4-(4-methylbenzoyl)-5-[4-(1-methylethyl)phenyl]-2-oxo-1H-pyrrol-1-yl]-4-methyl-, ethyl ester [ACD/Index Name]
Ethyl 2-[3-hydroxy-5-(4-isopropylphenyl)-4-(4-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-2-[3-hydroxy-5-(4-isopropylphenyl)-4-(4-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]
MFCD03017261
384352-74-3 [RN]
ethyl 2-(3-hydroxy-5-(4-isopropylphenyl)-4-(4-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
ethyl 2-[3-hydroxy-4-(4-methylbenzoyl)-2-oxo-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-{3-hydroxy-4-[(4-methylphenyl)carbonyl]-2-oxo-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-{3-hydroxy-5-[4-(methylethyl)phenyl]-4-[(4-methylphenyl)carbonyl]-2-oxo(3-pyrrolinyl)}-4-methyl-1,3-thiazole-5-carboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 646.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 100.1±3.0 kJ/mol
    Flash Point: 344.6±34.3 °C
    Index of Refraction: 1.634
    Molar Refractivity: 138.6±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 6.25
    ACD/LogD (pH 5.5): 3.99
    ACD/BCF (pH 5.5): 354.76
    ACD/KOC (pH 5.5): 1178.27
    ACD/LogD (pH 7.4): 2.22
    ACD/BCF (pH 7.4): 6.12
    ACD/KOC (pH 7.4): 20.33
    Polar Surface Area: 125 Å2
    Polarizability: 54.9±0.5 10-24cm3
    Surface Tension: 58.3±3.0 dyne/cm
    Molar Volume: 387.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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