ChemSpider 2D Image | 4-Fluoro-N-{1-methyl-3-[4-(2-pyrimidinyl)-1-piperazinyl]-1H-1,2,4-triazol-5-yl}benzamide | C18H19FN8O

4-Fluoro-N-{1-methyl-3-[4-(2-pyrimidinyl)-1-piperazinyl]-1H-1,2,4-triazol-5-yl}benzamide

  • Molecular FormulaC18H19FN8O
  • Average mass382.395 Da
  • Monoisotopic mass382.166595 Da
  • ChemSpider ID123934358

More details:

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

4-Fluor-N-{1-methyl-3-[4-(2-pyrimidinyl)-1-piperazinyl]-1H-1,2,4-triazol-5-yl}benzamid [German] [ACD/IUPAC Name]
4-Fluoro-N-{1-methyl-3-[4-(2-pyrimidinyl)-1-piperazinyl]-1H-1,2,4-triazol-5-yl}benzamide [ACD/IUPAC Name]
4-Fluoro-N-{1-méthyl-3-[4-(2-pyrimidinyl)-1-pipérazinyl]-1H-1,2,4-triazol-5-yl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-fluoro-N-[1-methyl-3-[4-(2-pyrimidinyl)-1-piperazinyl]-1H-1,2,4-triazol-5-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.710
Molar Refractivity: 103.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 3.45
ACD/KOC (pH 5.5): 60.37
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.94
ACD/KOC (pH 7.4): 191.61
Polar Surface Area: 92 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 263.4±7.0 cm3

Click to predict properties on the Chemicalize site


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