ChemSpider 2D Image | 3-Hydroxy-5-(5-methyl-2-furyl)-4-(4-methylphenyl)-1-[2-(phenylsulfanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one | C28H23NO3S

3-Hydroxy-5-(5-methyl-2-furyl)-4-(4-methylphenyl)-1-[2-(phenylsulfanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC28H23NO3S
  • Average mass453.552 Da
  • Monoisotopic mass453.139862 Da
  • ChemSpider ID60289904

More details:

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

2H-Pyrrol-2-one, 1,5-dihydro-3-hydroxy-5-(5-methyl-2-furanyl)-4-(4-methylphenyl)-1-[2-(phenylthio)phenyl]- [ACD/Index Name]
3-Hydroxy-5-(5-methyl-2-furyl)-4-(4-methylphenyl)-1-[2-(phenylsulfanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
3-Hydroxy-5-(5-methyl-2-furyl)-4-(4-methylphenyl)-1-[2-(phenylsulfanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
3-Hydroxy-5-(5-méthyl-2-furyl)-4-(4-méthylphényl)-1-[2-(phénylsulfanyl)phényl]-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: 590.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 311.0±30.1 °C
Index of Refraction: 1.713
Molar Refractivity: 132.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.16
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6304.76
ACD/KOC (pH 5.5): 18254.49
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6206.26
ACD/KOC (pH 7.4): 17969.27
Polar Surface Area: 79 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 336.9±5.0 cm3

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