ChemSpider 2D Image | Allyl 2-{3-(2,5-dimethylbenzoyl)-4-hydroxy-5-oxo-2-[4-(pentyloxy)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate | C32H34N2O6S

Allyl 2-{3-(2,5-dimethylbenzoyl)-4-hydroxy-5-oxo-2-[4-(pentyloxy)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate

  • Molecular FormulaC32H34N2O6S
  • Average mass574.687 Da
  • Monoisotopic mass574.213745 Da
  • ChemSpider ID11966349

More details:

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

2-{3-(2,5-Diméthylbenzoyl)-4-hydroxy-5-oxo-2-[4-(pentyloxy)phényl]-2,5-dihydro-1H-pyrrol-1-yl}-4-méthyl-1,3-thiazole-5-carboxylate d'allyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-[3-(2,5-dimethylbenzoyl)-2,5-dihydro-4-hydroxy-5-oxo-2-[4-(pentyloxy)phenyl]-1H-pyrrol-1-yl]-4-methyl-, 2-propen-1-yl ester [ACD/Index Name]
Allyl 2-{3-(2,5-dimethylbenzoyl)-4-hydroxy-5-oxo-2-[4-(pentyloxy)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Allyl-2-{3-(2,5-dimethylbenzoyl)-4-hydroxy-5-oxo-2-[4-(pentyloxy)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 720.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 389.6±35.7 °C
Index of Refraction: 1.614
Molar Refractivity: 158.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.71
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 3571.67
ACD/KOC (pH 5.5): 6153.80
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 61.62
ACD/KOC (pH 7.4): 106.17
Polar Surface Area: 134 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 455.5±3.0 cm3

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