ChemSpider 2D Image | Allyl 2-{2-[4-(benzyloxy)phenyl]-3-(2,5-dimethylbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate | C34H30N2O6S

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

  • Molecular FormulaC34H30N2O6S
  • Average mass594.677 Da
  • Monoisotopic mass594.182434 Da
  • ChemSpider ID11966345

More details:

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

2-{2-[4-(Benzyloxy)phényl]-3-(2,5-diméthylbenzoyl)-4-hydroxy-5-oxo-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-(phenylmethoxy)phenyl]-1H-pyrrol-1-yl]-4-methyl-, 2-propen-1-yl ester [ACD/Index Name]
Allyl 2-{2-[4-(benzyloxy)phenyl]-3-(2,5-dimethylbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Allyl-2-{2-[4-(benzyloxy)phenyl]-3-(2,5-dimethylbenzoyl)-4-hydroxy-5-oxo-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: 759.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 413.3±35.7 °C
Index of Refraction: 1.653
Molar Refractivity: 164.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.24
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 1666.78
ACD/KOC (pH 5.5): 3566.33
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 28.75
ACD/KOC (pH 7.4): 61.53
Polar Surface Area: 134 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 450.2±3.0 cm3

Click to predict properties on the Chemicalize site


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