ChemSpider 2D Image | 3-[4-(2-Chloro-6-fluorobenzoyl)-1-piperazinyl]-6-(4-fluorophenyl)-1,2,4-triazin-5(4H)-one | C20H16ClF2N5O2

3-[4-(2-Chloro-6-fluorobenzoyl)-1-piperazinyl]-6-(4-fluorophenyl)-1,2,4-triazin-5(4H)-one

  • Molecular FormulaC20H16ClF2N5O2
  • Average mass431.823 Da
  • Monoisotopic mass431.096069 Da
  • ChemSpider ID66429747

More details:

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

1,2,4-Triazin-5(4H)-one, 3-[4-(2-chloro-6-fluorobenzoyl)-1-piperazinyl]-6-(4-fluorophenyl)- [ACD/Index Name]
3-[4-(2-Chlor-6-fluorbenzoyl)-1-piperazinyl]-6-(4-fluorphenyl)-1,2,4-triazin-5(4H)-on [German] [ACD/IUPAC Name]
3-[4-(2-Chloro-6-fluorobenzoyl)-1-piperazinyl]-6-(4-fluorophenyl)-1,2,4-triazin-5(4H)-one [ACD/IUPAC Name]
3-[4-(2-Chloro-6-fluorobenzoyl)-1-pipérazinyl]-6-(4-fluorophényl)-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: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.677
Molar Refractivity: 107.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.27
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.63
ACD/KOC (pH 5.5): 175.95
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.14
ACD/KOC (pH 7.4): 166.87
Polar Surface Area: 77 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 285.7±7.0 cm3

Click to predict properties on the Chemicalize site


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