ChemSpider 2D Image | 3-[2,4-Bis(difluoromethoxy)phenyl]-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-propen-1-one | C18H15F4NO3S

3-[2,4-Bis(difluoromethoxy)phenyl]-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-propen-1-one

  • Molecular FormulaC18H15F4NO3S
  • Average mass401.375 Da
  • Monoisotopic mass401.070862 Da
  • ChemSpider ID35465742

More details:

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

2-Propen-1-one, 3-[2,4-bis(difluoromethoxy)phenyl]-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)- [ACD/Index Name]
3-[2,4-Bis(difluormethoxy)phenyl]-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-propen-1-on [German] [ACD/IUPAC Name]
3-[2,4-Bis(difluoromethoxy)phenyl]-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-propen-1-one [ACD/IUPAC Name]
3-[2,4-Bis(difluorométhoxy)phényl]-1-(6,7-dihydrothiéno[3,2-c]pyridin-5(4H)-yl)-2-propén-1-one [French] [ACD/IUPAC 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: 557.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 290.7±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 94.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 160.93
ACD/KOC (pH 5.5): 1321.63
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 160.93
ACD/KOC (pH 7.4): 1321.63
Polar Surface Area: 67 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 287.5±3.0 cm3

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