ChemSpider 2D Image | [4-(5-Chloro-2-methylphenyl)-1-piperazinyl][1-(4-chlorophenyl)-5-(3-pyridinyl)-1H-1,2,3-triazol-4-yl]methanone | C25H22Cl2N6O

[4-(5-Chloro-2-methylphenyl)-1-piperazinyl][1-(4-chlorophenyl)-5-(3-pyridinyl)-1H-1,2,3-triazol-4-yl]methanone

  • Molecular FormulaC25H22Cl2N6O
  • Average mass493.388 Da
  • Monoisotopic mass492.123230 Da
  • ChemSpider ID27309730

More details:

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

[4-(5-Chlor-2-methylphenyl)-1-piperazinyl][1-(4-chlorphenyl)-5-(3-pyridinyl)-1H-1,2,3-triazol-4-yl]methanon [German] [ACD/IUPAC Name]
[4-(5-Chloro-2-methylphenyl)-1-piperazinyl][1-(4-chlorophenyl)-5-(3-pyridinyl)-1H-1,2,3-triazol-4-yl]methanone [ACD/IUPAC Name]
[4-(5-Chloro-2-méthylphényl)-1-pipérazinyl][1-(4-chlorophényl)-5-(3-pyridinyl)-1H-1,2,3-triazol-4-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(5-chloro-2-methylphenyl)-1-piperazinyl][1-(4-chlorophenyl)-5-(3-pyridinyl)-1H-1,2,3-triazol-4-yl]- [ACD/Index Name]
[4-(5-chloro-2-methylphenyl)piperazin-1-yl][1-(4-chlorophenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazol-4-yl]methanone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 737.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 399.6±35.7 °C
Index of Refraction: 1.695
Molar Refractivity: 135.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 626.28
ACD/KOC (pH 5.5): 3488.03
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 631.04
ACD/KOC (pH 7.4): 3514.56
Polar Surface Area: 67 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 353.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement