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

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

  • Molecular FormulaC28H28ClNO4S
  • Average mass510.044 Da
  • Monoisotopic mass509.142761 Da
  • ChemSpider ID34793883

More details:

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

2H-Pyrrol-2-one, 5-(4-chlorophenyl)-4-[3-(1,1-dimethylethyl)-4-ethoxybenzoyl]-1,5-dihydro-3-hydroxy-1-(2-thienylmethyl)- [ACD/Index Name]
5-(4-Chlorophenyl)-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-1-(2-thienylmethyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-(4-Chlorophényl)-4-[4-éthoxy-3-(2-méthyl-2-propanyl)benzoyl]-3-hydroxy-1-(2-thiénylméthyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
5-(4-Chlorphenyl)-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-1-(2-thienylmethyl)-1,5-dihydro-2H-pyrrol-2-on [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: 694.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 374.0±31.5 °C
Index of Refraction: 1.633
Molar Refractivity: 139.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.25
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 1549.29
ACD/KOC (pH 5.5): 3384.63
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 26.73
ACD/KOC (pH 7.4): 58.39
Polar Surface Area: 95 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 390.7±3.0 cm3

Click to predict properties on the Chemicalize site


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