ChemSpider 2D Image | 1-(2,5-Dichlorophenyl)-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one | C26H25Cl2NO4S

1-(2,5-Dichlorophenyl)-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC26H25Cl2NO4S
  • Average mass518.452 Da
  • Monoisotopic mass517.088135 Da
  • ChemSpider ID59983927

More details:

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

1-(2,5-Dichlorophenyl)-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-(2,5-Dichlorophényl)-3-hydroxy-5-[3-méthoxy-4-(pentyloxy)phényl]-4-(2-thiényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
1-(2,5-Dichlorphenyl)-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-(2,5-dichlorophenyl)-1,5-dihydro-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]-4-(2-thienyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 630.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 335.1±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 136.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.64
ACD/LogD (pH 5.5): 6.61
ACD/BCF (pH 5.5): 62729.04
ACD/KOC (pH 5.5): 94528.77
ACD/LogD (pH 7.4): 6.60
ACD/BCF (pH 7.4): 60979.04
ACD/KOC (pH 7.4): 91891.62
Polar Surface Area: 87 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 382.5±3.0 cm3

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