ChemSpider 2D Image | 4-(4-Benzyl-1-piperidinyl)-6-{4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperazinyl}-2-(3-pyridinyl)pyrimidine | C33H33ClN8O

4-(4-Benzyl-1-piperidinyl)-6-{4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperazinyl}-2-(3-pyridinyl)pyrimidine

  • Molecular FormulaC33H33ClN8O
  • Average mass593.121 Da
  • Monoisotopic mass592.246582 Da
  • ChemSpider ID122017653

More details:

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

4-(4-Benzyl-1-piperidinyl)-6-{4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperazinyl}-2-(3-pyridinyl)pyrimidine [ACD/IUPAC Name]
4-(4-Benzyl-1-pipéridinyl)-6-{4-[5-(4-chlorophényl)-1,3,4-oxadiazol-2-yl]-1-pipérazinyl}-2-(3-pyridinyl)pyrimidine [French] [ACD/IUPAC Name]
4-(4-Benzyl-1-piperidinyl)-6-{4-[5-(4-chlorphenyl)-1,3,4-oxadiazol-2-yl]-1-piperazinyl}-2-(3-pyridinyl)pyrimidin [German] [ACD/IUPAC Name]
Pyrimidine, 4-[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperazinyl]-6-[4-(phenylmethyl)-1-piperidinyl]-2-(3-pyridinyl)- [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: 730.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 395.6±35.7 °C
Index of Refraction: 1.640
Molar Refractivity: 165.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 26.11
ACD/KOC (pH 5.5): 70.45
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 68.70
ACD/KOC (pH 7.4): 185.35
Polar Surface Area: 87 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 459.0±3.0 cm3

Click to predict properties on the Chemicalize site


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