ChemSpider 2D Image | 2-{2-[4-(4-Fluorobenzoyl)-3-(4-fluorophenyl)-1-piperidinyl]ethyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one | C26H28F2N4O2

2-{2-[4-(4-Fluorobenzoyl)-3-(4-fluorophenyl)-1-piperidinyl]ethyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

  • Molecular FormulaC26H28F2N4O2
  • Average mass466.523 Da
  • Monoisotopic mass466.218048 Da
  • ChemSpider ID14384052

More details:

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

1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one, 2-[2-[4-(4-fluorobenzoyl)-3-(4-fluorophenyl)-1-piperidinyl]ethyl]-5,6,7,8-tetrahydro- [ACD/Index Name]
2-{2-[4-(4-Fluorbenzoyl)-3-(4-fluorphenyl)-1-piperidinyl]ethyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-on [German] [ACD/IUPAC Name]
2-{2-[4-(4-Fluorobenzoyl)-3-(4-fluorophenyl)-1-piperidinyl]ethyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one [ACD/IUPAC Name]
2-{2-[4-(4-Fluorobenzoyl)-3-(4-fluorophényl)-1-pipéridinyl]éthyl}-5,6,7,8-tétrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one [French] [ACD/IUPAC Name]
2-{2-[4-(4-Fluoro-benzoyl)-3-(4-fluoro-phenyl)-piperidin-1-yl]-ethyl}-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-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: 590.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 310.9±32.9 °C
Index of Refraction: 1.650
Molar Refractivity: 126.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.96
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 31.40
ACD/KOC (pH 7.4): 307.02
Polar Surface Area: 56 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 345.6±7.0 cm3

Click to predict properties on the Chemicalize site


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