ChemSpider 2D Image | MFCD03017262 | C27H26N2O7S

MFCD03017262

  • Molecular FormulaC27H26N2O7S
  • Average mass522.570 Da
  • Monoisotopic mass522.146057 Da
  • ChemSpider ID20204171

More details:

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

2-[2-(3,4-Diméthoxyphényl)-4-hydroxy-3-(4-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-(3,4-dimethoxyphenyl)-2,5-dihydro-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-1H-pyrrol-1-yl]-4-methyl-, ethyl ester [ACD/Index Name]
Ethyl 2-[2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-2-[2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]
MFCD03017262
ethyl 2-(2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
ethyl 2-{2-(3,4-dimethoxyphenyl)-4-hydroxy-3-[(4-methylphenyl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-{5-(3,4-dimethoxyphenyl)-3-hydroxy-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: 1.4±0.1 g/cm3
Boiling Point: 665.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 356.4±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 137.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 27.82
ACD/KOC (pH 5.5): 190.48
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.29
Polar Surface Area: 144 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 385.6±3.0 cm3

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