ChemSpider 2D Image | 2-{2-[4-(4-Fluorophenyl)-1-piperazinyl]-2-oxoethyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one | C18H22FN5O2

2-{2-[4-(4-Fluorophenyl)-1-piperazinyl]-2-oxoethyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

  • Molecular FormulaC18H22FN5O2
  • Average mass359.398 Da
  • Monoisotopic mass359.175751 Da
  • ChemSpider ID34967172

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-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-5,6,7,8-tetrahydro- [ACD/Index Name]
2-{2-[4-(4-Fluorophenyl)-1-piperazinyl]-2-oxoethyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one [ACD/IUPAC Name]
2-{2-[4-(4-Fluorophényl)-1-pipérazinyl]-2-oxoéthyl}-5,6,7,8-tétrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one [French] [ACD/IUPAC Name]
2-{2-[4-(4-Fluorphenyl)-1-piperazinyl]-2-oxoethyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-on [German] [ACD/IUPAC Name]
2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-{2-[4-(4-fluorophenyl)piperazino]-2-oxoethyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
MFCD28041493

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

Density: 1.4±0.1 g/cm3
Boiling Point: 545.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.5±32.9 °C
Index of Refraction: 1.679
Molar Refractivity: 95.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.64
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.22
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.19
ACD/KOC (pH 7.4): 39.37
Polar Surface Area: 59 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 253.6±7.0 cm3

Click to predict properties on the Chemicalize site


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