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

3-(4-Chlorophenyl)-5-[4-(3-methylbenzyl)-1-piperazinyl][1,2,4]triazolo[4,3-c]quinazoline

  • Molecular FormulaC27H25ClN6
  • Average mass468.981 Da
  • Monoisotopic mass468.182922 Da
  • ChemSpider ID22708140

More details:






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

1,2,4-Triazolo[4,3-c]quinazoline, 3-(4-chlorophenyl)-5-[4-[(3-methylphenyl)methyl]-1-piperazinyl]- [ACD/Index Name]
3-(4-Chlorophenyl)-5-[4-(3-methylbenzyl)-1-piperazinyl][1,2,4]triazolo[4,3-c]quinazoline [ACD/IUPAC Name]
3-(4-Chlorophényl)-5-[4-(3-méthylbenzyl)-1-pipérazinyl][1,2,4]triazolo[4,3-c]quinazoline [French] [ACD/IUPAC Name]
3-(4-Chlorphenyl)-5-[4-(3-methylbenzyl)-1-piperazinyl][1,2,4]triazolo[4,3-c]chinazolin [German] [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: 1.711
Molar Refractivity: 137.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 759.97
ACD/KOC (pH 5.5): 2594.50
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3376.31
ACD/KOC (pH 7.4): 11526.50
Polar Surface Area: 50 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 350.6±7.0 cm3

Click to predict properties on the Chemicalize site






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