ChemSpider 2D Image | 4-{4-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperazinyl}-2-(2-methylphenyl)-6-(4-phenyl-1-piperazinyl)pyrimidine | C33H33ClN8O

4-{4-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperazinyl}-2-(2-methylphenyl)-6-(4-phenyl-1-piperazinyl)pyrimidine

  • Molecular FormulaC33H33ClN8O
  • Average mass593.121 Da
  • Monoisotopic mass592.246582 Da
  • ChemSpider ID121850894

More details:

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

4-{4-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperazinyl}-2-(2-methylphenyl)-6-(4-phenyl-1-piperazinyl)pyrimidine [ACD/IUPAC Name]
4-{4-[5-(4-Chlorophényl)-1,3,4-oxadiazol-2-yl]-1-pipérazinyl}-2-(2-méthylphényl)-6-(4-phényl-1-pipérazinyl)pyrimidine [French] [ACD/IUPAC Name]
4-{4-[5-(4-Chlorphenyl)-1,3,4-oxadiazol-2-yl]-1-piperazinyl}-2-(2-methylphenyl)-6-(4-phenyl-1-piperazinyl)pyrimidin [German] [ACD/IUPAC Name]
Pyrimidine, 4-[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperazinyl]-2-(2-methylphenyl)-6-(4-phenyl-1-piperazinyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 733.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 397.3±35.7 °C
Index of Refraction: 1.644
Molar Refractivity: 166.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 20.65
ACD/KOC (pH 5.5): 57.94
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 29.70
ACD/KOC (pH 7.4): 83.32
Polar Surface Area: 78 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 458.9±3.0 cm3

Click to predict properties on the Chemicalize site


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