ChemSpider 2D Image | 3-(3-Fluorophenyl)-7-(7-methoxy-1,3-benzodioxol-5-yl)-6,7-dihydro[1,2]thiazolo[4,5-b]pyridin-5(4H)-one | C20H15FN2O4S

3-(3-Fluorophenyl)-7-(7-methoxy-1,3-benzodioxol-5-yl)-6,7-dihydro[1,2]thiazolo[4,5-b]pyridin-5(4H)-one

  • Molecular FormulaC20H15FN2O4S
  • Average mass398.408 Da
  • Monoisotopic mass398.073669 Da
  • ChemSpider ID23497477

More details:

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

3-(3-Fluorophenyl)-7-(7-methoxy-1,3-benzodioxol-5-yl)-6,7-dihydro[1,2]thiazolo[4,5-b]pyridin-5(4H)-one [ACD/IUPAC Name]
3-(3-Fluorophényl)-7-(7-méthoxy-1,3-benzodioxol-5-yl)-6,7-dihydro[1,2]thiazolo[4,5-b]pyridin-5(4H)-one [French] [ACD/IUPAC Name]
3-(3-Fluorphenyl)-7-(7-methoxy-1,3-benzodioxol-5-yl)-6,7-dihydro[1,2]thiazolo[4,5-b]pyridin-5(4H)-on [German] [ACD/IUPAC Name]
Isothiazolo[4,5-b]pyridin-5(4H)-one, 3-(3-fluorophenyl)-6,7-dihydro-7-(7-methoxy-1,3-benzodioxol-5-yl)- [ACD/Index Name]
3-(3-fluorophenyl)-7-(7-methoxy(2H-benzo[3,4-d]1,3-dioxolen-5-yl))-4,6,7-trihydroisothiazolo[4,5-b]pyridin-5-one
3-(3-Fluoro-phenyl)-7-(7-methoxy-benzo[1,3]dioxol-5-yl)-6,7-dihydro-4H-isothiazolo[4,5-b]pyridin-5-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 508.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 261.6±30.1 °C
Index of Refraction: 1.634
Molar Refractivity: 100.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 43.12
ACD/KOC (pH 5.5): 514.86
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 43.14
ACD/KOC (pH 7.4): 515.09
Polar Surface Area: 98 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 280.4±3.0 cm3

Click to predict properties on the Chemicalize site


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