ChemSpider 2D Image | 8-Ethyl-7-(4-fluorophenyl)-3-(3-pyridinylmethyl)pyrazolo[5,1-c]pyrimido[4,5-e][1,2,4]triazin-4(3H)-one | C21H16FN7O

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

  • Molecular FormulaC21H16FN7O
  • Average mass401.396 Da
  • Monoisotopic mass401.140045 Da
  • ChemSpider ID28621562

More details:

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

8-Ethyl-7-(4-fluorophenyl)-3-(3-pyridinylmethyl)pyrazolo[5,1-c]pyrimido[4,5-e][1,2,4]triazin-4(3H)-one [ACD/IUPAC Name]
8-Éthyl-7-(4-fluorophényl)-3-(3-pyridinylméthyl)pyrazolo[5,1-c]pyrimido[4,5-e][1,2,4]triazin-4(3H)-one [French] [ACD/IUPAC Name]
8-Ethyl-7-(4-fluorphenyl)-3-(3-pyridinylmethyl)pyrazolo[5,1-c]pyrimido[4,5-e][1,2,4]triazin-4(3H)-on [German] [ACD/IUPAC Name]
Pyrazolo[5,1-c]pyrimido[4,5-e][1,2,4]triazin-4(3H)-one, 8-ethyl-7-(4-fluorophenyl)-3-(3-pyridinylmethyl)- [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: 1.744
Molar Refractivity: 110.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.60
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: 89 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 272.3±7.0 cm3

Click to predict properties on the Chemicalize site


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