ChemSpider 2D Image | 7-{4-[(2-Fluorobenzyl)oxy]phenyl}-5-oxo-4,5,6,7-tetrahydro[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid | C20H15FN2O4S

7-{4-[(2-Fluorobenzyl)oxy]phenyl}-5-oxo-4,5,6,7-tetrahydro[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid

  • Molecular FormulaC20H15FN2O4S
  • Average mass398.408 Da
  • Monoisotopic mass398.073669 Da
  • ChemSpider ID28636854

More details:

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

7-{4-[(2-Fluorbenzyl)oxy]phenyl}-5-oxo-4,5,6,7-tetrahydro[1,2]thiazolo[4,5-b]pyridin-3-carbonsäure [German] [ACD/IUPAC Name]
7-{4-[(2-Fluorobenzyl)oxy]phenyl}-5-oxo-4,5,6,7-tetrahydro[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid [ACD/IUPAC Name]
Acide 7-{4-[(2-fluorobenzyl)oxy]phényl}-5-oxo-4,5,6,7-tétrahydro[1,2]thiazolo[4,5-b]pyridine-3-carboxylique [French] [ACD/IUPAC Name]
Isothiazolo[4,5-b]pyridine-3-carboxylic acid, 7-[4-[(2-fluorophenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-5-oxo- [ACD/Index Name]
7-[4-(2-Fluoro-benzyloxy)-phenyl]-5-oxo-4,5,6,7-tetrahydro-isothiazolo[4,5-b]pyridine-3-carboxylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 546.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 284.5±30.1 °C
Index of Refraction: 1.649
Molar Refractivity: 100.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 3.82
ACD/KOC (pH 5.5): 17.09
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.47
Polar Surface Area: 117 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 277.1±3.0 cm3

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