ChemSpider 2D Image | [4-(3,6-Dimethyl-2-pyrazinyl)-1-piperazinyl][1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl]methanone | C20H22FN7O

[4-(3,6-Dimethyl-2-pyrazinyl)-1-piperazinyl][1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl]methanone

  • Molecular FormulaC20H22FN7O
  • Average mass395.433 Da
  • Monoisotopic mass395.186981 Da
  • ChemSpider ID22213959

More details:

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

[4-(3,6-Dimethyl-2-pyrazinyl)-1-piperazinyl][1-(4-fluorbenzyl)-1H-1,2,3-triazol-4-yl]methanon [German] [ACD/IUPAC Name]
[4-(3,6-Dimethyl-2-pyrazinyl)-1-piperazinyl][1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl]methanone [ACD/IUPAC Name]
[4-(3,6-Diméthyl-2-pyrazinyl)-1-pipérazinyl][1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(3,6-dimethyl-2-pyrazinyl)-1-piperazinyl][1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl]- [ACD/Index Name]
3-(4-{[1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl]carbonyl}-1-piperazinyl)-2,5-dimethylpyrazine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 632.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 336.3±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 109.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 4.51
ACD/KOC (pH 5.5): 86.39
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.09
ACD/KOC (pH 7.4): 154.91
Polar Surface Area: 80 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 290.0±7.0 cm3

Click to predict properties on the Chemicalize site


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