ChemSpider 2D Image | Ethyl 2-[2-(4-chlorophenyl)-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate | C26H23ClN2O6S

Ethyl 2-[2-(4-chlorophenyl)-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

  • Molecular FormulaC26H23ClN2O6S
  • Average mass526.989 Da
  • Monoisotopic mass526.096558 Da
  • ChemSpider ID11888328

More details:

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

2-[2-(4-Chlorophényl)-4-hydroxy-3-(4-méthoxy-3-méthylbenzoyl)-5-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-(4-chlorophenyl)-2,5-dihydro-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-1H-pyrrol-1-yl]-4-methyl-, ethyl ester [ACD/Index Name]
Ethyl 2-[2-(4-chlorophenyl)-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-2-[2-(4-chlorphenyl)-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]
499117-70-3 [RN]
ethyl 2-(2-(4-chlorophenyl)-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
ethyl 2-[2-(4-chlorophenyl)-4-hydroxy-3-[(4-methoxy-3-methylphenyl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-{2-(4-chlorophenyl)-4-hydroxy-3-[(4-methoxy-3-methylphenyl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-{5-(4-chlorophenyl)-3-hydroxy-4-[(4-methoxy-3-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: 1.4±0.1 g/cm3
    Boiling Point: 677.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 104.4±3.0 kJ/mol
    Flash Point: 363.4±34.3 °C
    Index of Refraction: 1.648
    Molar Refractivity: 136.0±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 5.68
    ACD/LogD (pH 5.5): 3.42
    ACD/BCF (pH 5.5): 131.53
    ACD/KOC (pH 5.5): 579.18
    ACD/LogD (pH 7.4): 1.66
    ACD/BCF (pH 7.4): 2.27
    ACD/KOC (pH 7.4): 9.99
    Polar Surface Area: 134 Å2
    Polarizability: 53.9±0.5 10-24cm3
    Surface Tension: 62.6±3.0 dyne/cm
    Molar Volume: 373.5±3.0 cm3

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