ChemSpider 2D Image | Allyl 2-[2-(4-butoxy-3-ethoxyphenyl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate | C29H30N2O7S2

Allyl 2-[2-(4-butoxy-3-ethoxyphenyl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

  • Molecular FormulaC29H30N2O7S2
  • Average mass582.688 Da
  • Monoisotopic mass582.149414 Da
  • ChemSpider ID2624528

More details:

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

2-[2-(4-Butoxy-3-éthoxyphényl)-4-hydroxy-5-oxo-3-(2-thiénylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-méthyl-1,3-thiazole-5-carboxylate d'allyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-[2-(4-butoxy-3-ethoxyphenyl)-2,5-dihydro-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-1H-pyrrol-1-yl]-4-methyl-, 2-propen-1-yl ester [ACD/Index Name]
Allyl 2-[2-(4-butoxy-3-ethoxyphenyl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Allyl-2-[2-(4-butoxy-3-ethoxyphenyl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-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: 706.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 380.9±35.7 °C
Index of Refraction: 1.625
Molar Refractivity: 154.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 165.60
ACD/KOC (pH 5.5): 682.99
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 2.86
ACD/KOC (pH 7.4): 11.78
Polar Surface Area: 172 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 436.4±3.0 cm3

Click to predict properties on the Chemicalize site


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