ChemSpider 2D Image | 1-(3-Chlorophenyl)-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-5-(3-methyl-2-thienyl)-1,5-dihydro-2H-pyrrol-2-one | C28H28ClNO4S

1-(3-Chlorophenyl)-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-5-(3-methyl-2-thienyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC28H28ClNO4S
  • Average mass510.044 Da
  • Monoisotopic mass509.142761 Da
  • ChemSpider ID34854716

More details:

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

1-(3-Chlorophenyl)-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-5-(3-methyl-2-thienyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-(3-Chlorophényl)-4-[4-éthoxy-3-(2-méthyl-2-propanyl)benzoyl]-3-hydroxy-5-(3-méthyl-2-thiényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
1-(3-Chlorphenyl)-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-5-(3-methyl-2-thienyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-(3-chlorophenyl)-4-[3-(1,1-dimethylethyl)-4-ethoxybenzoyl]-1,5-dihydro-3-hydroxy-5-(3-methyl-2-thienyl)- [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: 651.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 348.1±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 139.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 2959.78
ACD/KOC (pH 5.5): 5379.45
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 51.06
ACD/KOC (pH 7.4): 92.80
Polar Surface Area: 95 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 392.8±3.0 cm3

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