ChemSpider 2D Image | MFCD02996362 | C26H23ClN2O5S

MFCD02996362

  • Molecular FormulaC26H23ClN2O5S
  • Average mass510.989 Da
  • Monoisotopic mass510.101624 Da
  • ChemSpider ID10871674

More details:

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

2-[3-(4-Chlorobenzoyl)-4-hydroxy-2-(4-isopropylphényl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-méthyl-1,3-thiazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-[3-(4-chlorobenzoyl)-2,5-dihydro-4-hydroxy-2-[4-(1-methylethyl)phenyl]-5-oxo-1H-pyrrol-1-yl]-4-methyl-, methyl ester [ACD/Index Name]
Methyl 2-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Methyl-2-[3-(4-chlorbenzoyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]
MFCD02996362
381680-88-2 [RN]
methyl 2-(3-(4-chlorobenzoyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
methyl 2-[3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
methyl 2-{3-[(4-chlorophenyl)carbonyl]-4-hydroxy-5-oxo-2-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
methyl 2-{4-[(4-chlorophenyl)carbonyl]-3-hydroxy-5-[4-(methylethyl)phenyl]-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: 647.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 100.3±3.0 kJ/mol
    Flash Point: 345.2±34.3 °C
    Index of Refraction: 1.651
    Molar Refractivity: 134.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 6.03
    ACD/LogD (pH 5.5): 3.68
    ACD/BCF (pH 5.5): 207.05
    ACD/KOC (pH 5.5): 801.41
    ACD/LogD (pH 7.4): 1.91
    ACD/BCF (pH 7.4): 3.57
    ACD/KOC (pH 7.4): 13.83
    Polar Surface Area: 125 Å2
    Polarizability: 53.1±0.5 10-24cm3
    Surface Tension: 62.2±3.0 dyne/cm
    Molar Volume: 366.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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