ChemSpider 2D Image | 3-[3-(3-Thienyl)-1,2,4-oxadiazol-5-yl]-1-[4-(trifluoromethoxy)benzyl]-2(1H)-pyridinone | C19H12F3N3O3S

3-[3-(3-Thienyl)-1,2,4-oxadiazol-5-yl]-1-[4-(trifluoromethoxy)benzyl]-2(1H)-pyridinone

  • Molecular FormulaC19H12F3N3O3S
  • Average mass419.377 Da
  • Monoisotopic mass419.055145 Da
  • ChemSpider ID30676700

More details:

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

2(1H)-Pyridinone, 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]-1-[[4-(trifluoromethoxy)phenyl]methyl]- [ACD/Index Name]
3-[3-(3-Thienyl)-1,2,4-oxadiazol-5-yl]-1-[4-(trifluormethoxy)benzyl]-2(1H)-pyridinon [German] [ACD/IUPAC Name]
3-[3-(3-Thienyl)-1,2,4-oxadiazol-5-yl]-1-[4-(trifluoromethoxy)benzyl]-2(1H)-pyridinone [ACD/IUPAC Name]
3-[3-(3-Thiényl)-1,2,4-oxadiazol-5-yl]-1-[4-(trifluorométhoxy)benzyl]-2(1H)-pyridinone [French] [ACD/IUPAC Name]
1396848-37-5 [RN]
3-(3-(thiophen-3-yl)-1,2,4-oxadiazol-5-yl)-1-(4-(trifluoromethoxy)benzyl)pyridin-2(1H)-one
3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]-1-[4-(trifluoromethoxy)benzyl]pyridin-2(1H)-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 573.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 300.6±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 98.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 240.72
ACD/KOC (pH 5.5): 1763.14
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 240.72
ACD/KOC (pH 7.4): 1763.14
Polar Surface Area: 97 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 285.5±3.0 cm3

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