ChemSpider 2D Image | 3-(4-Chlorobenzyl)-8-ethyl-7-(4-fluorophenyl)pyrazolo[5,1-c]pyrimido[4,5-e][1,2,4]triazin-4(3H)-one | C22H16ClFN6O

3-(4-Chlorobenzyl)-8-ethyl-7-(4-fluorophenyl)pyrazolo[5,1-c]pyrimido[4,5-e][1,2,4]triazin-4(3H)-one

  • Molecular FormulaC22H16ClFN6O
  • Average mass434.853 Da
  • Monoisotopic mass434.105804 Da
  • ChemSpider ID28621533

More details:

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

3-(4-Chlorbenzyl)-8-ethyl-7-(4-fluorphenyl)pyrazolo[5,1-c]pyrimido[4,5-e][1,2,4]triazin-4(3H)-on [German] [ACD/IUPAC Name]
3-(4-Chlorobenzyl)-8-ethyl-7-(4-fluorophenyl)pyrazolo[5,1-c]pyrimido[4,5-e][1,2,4]triazin-4(3H)-one [ACD/IUPAC Name]
3-(4-Chlorobenzyl)-8-éthyl-7-(4-fluorophényl)pyrazolo[5,1-c]pyrimido[4,5-e][1,2,4]triazin-4(3H)-one [French] [ACD/IUPAC Name]
Pyrazolo[5,1-c]pyrimido[4,5-e][1,2,4]triazin-4(3H)-one, 3-[(4-chlorophenyl)methyl]-8-ethyl-7-(4-fluorophenyl)- [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: 1.726
Molar Refractivity: 116.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 76 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 292.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement