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

Ethyl 2-{2-[4-(hexyloxy)phenyl]-4-hydroxy-5-oxo-3-[(2E)-3-phenyl-2-propenoyl]-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 ID4835815

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{2-[4-(Hexyloxy)phényl]-4-hydroxy-5-oxo-3-[(2E)-3-phényl-2-propenoyl]-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-(hexyloxy)phenyl]-2,5-dihydro-4-hydroxy-5-oxo-3-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-1H-pyrrol-1-yl]-4-methyl-, ethyl ester [ACD/Index Name]
Ethyl 2-{2-[4-(hexyloxy)phenyl]-4-hydroxy-5-oxo-3-[(2E)-3-phenyl-2-propenoyl]-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Ethyl 2-{2-[4-(hexyloxy)phenyl]-4-hydroxy-5-oxo-3-[(2E)-3-phenylprop-2-enoyl]-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Ethyl-2-{2-[4-(hexyloxy)phenyl]-4-hydroxy-5-oxo-3-[(2E)-3-phenyl-2-propenoyl]-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: 711.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 384.0±35.7 °C
Index of Refraction: 1.627
Molar Refractivity: 159.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.89
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 2489.16
ACD/KOC (pH 5.5): 4752.14
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 42.94
ACD/KOC (pH 7.4): 81.99
Polar Surface Area: 134 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 450.9±3.0 cm3

Click to predict properties on the Chemicalize site


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