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

1-[2-(4-Chlorophenyl)ethyl]-3-hydroxy-4-(3-isobutoxybenzoyl)-5-(3-methyl-2-thienyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC28H28ClNO4S
  • Average mass510.044 Da
  • Monoisotopic mass509.142761 Da
  • ChemSpider ID34802695

More details:

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

1-[2-(4-Chlorophenyl)ethyl]-3-hydroxy-4-(3-isobutoxybenzoyl)-5-(3-methyl-2-thienyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-[2-(4-Chlorophényl)éthyl]-3-hydroxy-4-(3-isobutoxybenzoyl)-5-(3-méthyl-2-thiényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
1-[2-(4-Chlorphenyl)ethyl]-3-hydroxy-4-(3-isobutoxybenzoyl)-5-(3-methyl-2-thienyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-[2-(4-chlorophenyl)ethyl]-1,5-dihydro-3-hydroxy-4-[3-(2-methylpropoxy)benzoyl]-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: 695.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 374.5±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 139.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.24
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 895.02
ACD/KOC (pH 5.5): 2285.27
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 15.44
ACD/KOC (pH 7.4): 39.42
Polar Surface Area: 95 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 393.6±3.0 cm3

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