ChemSpider 2D Image | 3-{4-[(5-Ethyl-1-phenyl-1H-pyrazol-3-yl)carbonyl]-1-piperazinyl}-6-(4-fluorobenzyl)-1,2,4-triazin-5(4H)-one | C26H26FN7O2

3-{4-[(5-Ethyl-1-phenyl-1H-pyrazol-3-yl)carbonyl]-1-piperazinyl}-6-(4-fluorobenzyl)-1,2,4-triazin-5(4H)-one

  • Molecular FormulaC26H26FN7O2
  • Average mass487.529 Da
  • Monoisotopic mass487.213196 Da
  • ChemSpider ID67045307

More details:

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

1,2,4-Triazin-5(4H)-one, 3-[4-[(5-ethyl-1-phenyl-1H-pyrazol-3-yl)carbonyl]-1-piperazinyl]-6-[(4-fluorophenyl)methyl]- [ACD/Index Name]
3-{4-[(5-Ethyl-1-phenyl-1H-pyrazol-3-yl)carbonyl]-1-piperazinyl}-6-(4-fluorbenzyl)-1,2,4-triazin-5(4H)-on [German] [ACD/IUPAC Name]
3-{4-[(5-Ethyl-1-phenyl-1H-pyrazol-3-yl)carbonyl]-1-piperazinyl}-6-(4-fluorobenzyl)-1,2,4-triazin-5(4H)-one [ACD/IUPAC Name]
3-{4-[(5-Éthyl-1-phényl-1H-pyrazol-3-yl)carbonyl]-1-pipérazinyl}-6-(4-fluorobenzyl)-1,2,4-triazin-5(4H)-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.684
Molar Refractivity: 135.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.15
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.14
ACD/KOC (pH 5.5): 443.82
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 33.90
ACD/KOC (pH 7.4): 428.19
Polar Surface Area: 95 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 355.8±7.0 cm3

Click to predict properties on the Chemicalize site


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