ChemSpider 2D Image | 3-Benzyl-5-[4-(2-chlorobenzyl)-1-piperazinyl][1,2,4]triazolo[4,3-c]quinazoline | C27H25ClN6

3-Benzyl-5-[4-(2-chlorobenzyl)-1-piperazinyl][1,2,4]triazolo[4,3-c]quinazoline

  • Molecular FormulaC27H25ClN6
  • Average mass468.981 Da
  • Monoisotopic mass468.182922 Da
  • ChemSpider ID76834031

More details:






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

1,2,4-Triazolo[4,3-c]quinazoline, 5-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-3-(phenylmethyl)- [ACD/Index Name]
3-Benzyl-5-[4-(2-chlorbenzyl)-1-piperazinyl][1,2,4]triazolo[4,3-c]chinazolin [German] [ACD/IUPAC Name]
3-Benzyl-5-[4-(2-chlorobenzyl)-1-piperazinyl][1,2,4]triazolo[4,3-c]quinazoline [ACD/IUPAC Name]
3-Benzyl-5-[4-(2-chlorobenzyl)-1-pipérazinyl][1,2,4]triazolo[4,3-c]quinazoline [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.710
Molar Refractivity: 137.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 780.96
ACD/KOC (pH 5.5): 3367.47
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1533.78
ACD/KOC (pH 7.4): 6613.64
Polar Surface Area: 50 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 351.5±7.0 cm3

Click to predict properties on the Chemicalize site






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