ChemSpider 2D Image | 7-(4-Fluorophenyl)-3-(4-methylphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid | C21H16FNO3S

7-(4-Fluorophenyl)-3-(4-methylphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid

  • Molecular FormulaC21H16FNO3S
  • Average mass381.420 Da
  • Monoisotopic mass381.083496 Da
  • ChemSpider ID29021380

More details:

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

7-(4-Fluorophenyl)-3-(4-methylphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid [ACD/IUPAC Name]
7-(4-Fluorphenyl)-3-(4-methylphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-2-carbonsäure [German] [ACD/IUPAC Name]
Acide 7-(4-fluorophényl)-3-(4-méthylphényl)-5-oxo-4,5,6,7-tétrahydrothiéno[3,2-b]pyridine-2-carboxylique [French] [ACD/IUPAC Name]
Thieno[3,2-b]pyridine-2-carboxylic acid, 7-(4-fluorophenyl)-4,5,6,7-tetrahydro-3-(4-methylphenyl)-5-oxo- [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: 530.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 274.3±30.1 °C
Index of Refraction: 1.639
Molar Refractivity: 101.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 18.46
ACD/KOC (pH 5.5): 90.54
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.54
Polar Surface Area: 95 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 280.8±3.0 cm3

Click to predict properties on the Chemicalize site


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