ChemSpider 2D Image | {4-[3-Hydroxy-2-oxo-4-(2-thienylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid | C26H23NO5S

{4-[3-Hydroxy-2-oxo-4-(2-thienylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid

  • Molecular FormulaC26H23NO5S
  • Average mass461.530 Da
  • Monoisotopic mass461.129700 Da
  • ChemSpider ID24480933

More details:

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

{4-[3-Hydroxy-2-oxo-4-(2-thienylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid [ACD/IUPAC Name]
{4-[3-Hydroxy-2-oxo-4-(2-thienylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}essigsäure [German] [ACD/IUPAC Name]
Acide {4-[3-hydroxy-2-oxo-4-(2-thiénylcarbonyl)-5-(2,4,5-triméthylphényl)-2,5-dihydro-1H-pyrrol-1-yl]phényl}acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[2,5-dihydro-3-hydroxy-2-oxo-4-(2-thienylcarbonyl)-5-(2,4,5-trimethylphenyl)-1H-pyrrol-1-yl]- [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: 665.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 356.0±31.5 °C
Index of Refraction: 1.678
Molar Refractivity: 125.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 4.24
ACD/KOC (pH 5.5): 23.16
ACD/LogD (pH 7.4): -0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 66.9±3.0 dyne/cm
Molar Volume: 333.7±3.0 cm3

Click to predict properties on the Chemicalize site


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