ChemSpider 2D Image | 1-(5-Acetyl-4-methyl-1,3-thiazol-2-yl)-5-(4-butoxy-3-ethoxyphenyl)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one | C28H31N3O6S2

1-(5-Acetyl-4-methyl-1,3-thiazol-2-yl)-5-(4-butoxy-3-ethoxyphenyl)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC28H31N3O6S2
  • Average mass569.692 Da
  • Monoisotopic mass569.165405 Da
  • ChemSpider ID3921099

More details:

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

1-(5-Acetyl-4-methyl-1,3-thiazol-2-yl)-5-(4-butoxy-3-ethoxyphenyl)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-(5-Acetyl-4-methyl-1,3-thiazol-2-yl)-5-(4-butoxy-3-ethoxyphenyl)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-(5-Acétyl-4-méthyl-1,3-thiazol-2-yl)-5-(4-butoxy-3-éthoxyphényl)-4-[(2,4-diméthyl-1,3-thiazol-5-yl)carbonyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-(5-acetyl-4-methyl-2-thiazolyl)-5-(4-butoxy-3-ethoxyphenyl)-4-[(2,4-dimethyl-5-thiazolyl)carbonyl]-1,5-dihydro-3-hydroxy- [ACD/Index 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: 713.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 385.4±35.7 °C
Index of Refraction: 1.625
Molar Refractivity: 151.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 23.93
ACD/KOC (pH 5.5): 171.01
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.95
Polar Surface Area: 175 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 427.7±3.0 cm3

Click to predict properties on the Chemicalize site


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