ChemSpider 2D Image | 3-Hydroxy-5-(4-isopropylphenyl)-1-(1-naphthyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one | C28H23NO3S

3-Hydroxy-5-(4-isopropylphenyl)-1-(1-naphthyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC28H23NO3S
  • Average mass453.552 Da
  • Monoisotopic mass453.139862 Da
  • ChemSpider ID60050328

More details:

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

2H-Pyrrol-2-one, 1,5-dihydro-3-hydroxy-5-[4-(1-methylethyl)phenyl]-1-(1-naphthalenyl)-4-(2-thienylcarbonyl)- [ACD/Index Name]
3-Hydroxy-5-(4-isopropylphenyl)-1-(1-naphthyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
3-Hydroxy-5-(4-isopropylphenyl)-1-(1-naphthyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
3-Hydroxy-5-(4-isopropylphényl)-1-(1-naphtyl)-4-(2-thiénylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one [French] [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: 618.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 327.7±31.5 °C
Index of Refraction: 1.702
Molar Refractivity: 132.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 450.90
ACD/KOC (pH 5.5): 1398.98
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 7.78
ACD/KOC (pH 7.4): 24.13
Polar Surface Area: 86 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 341.6±3.0 cm3

Click to predict properties on the Chemicalize site


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