ChemSpider 2D Image | 5-(Cyclohexylmethoxy)-1-(4-fluorobenzyl)-2-{[4-(2-fluorophenyl)-1-piperazinyl]methyl}-4(1H)-pyridinone | C30H35F2N3O2

5-(Cyclohexylmethoxy)-1-(4-fluorobenzyl)-2-{[4-(2-fluorophenyl)-1-piperazinyl]methyl}-4(1H)-pyridinone

  • Molecular FormulaC30H35F2N3O2
  • Average mass507.615 Da
  • Monoisotopic mass507.269745 Da
  • ChemSpider ID124039179

More details:

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

4(1H)-Pyridinone, 5-(cyclohexylmethoxy)-1-[(4-fluorophenyl)methyl]-2-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]- [ACD/Index Name]
5-(Cyclohexylmethoxy)-1-(4-fluorbenzyl)-2-{[4-(2-fluorphenyl)-1-piperazinyl]methyl}-4(1H)-pyridinon [German] [ACD/IUPAC Name]
5-(Cyclohexylmethoxy)-1-(4-fluorobenzyl)-2-{[4-(2-fluorophenyl)-1-piperazinyl]methyl}-4(1H)-pyridinone [ACD/IUPAC Name]
5-(Cyclohexylméthoxy)-1-(4-fluorobenzyl)-2-{[4-(2-fluorophényl)-1-pipérazinyl]méthyl}-4(1H)-pyridinone [French] [ACD/IUPAC 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: 633.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.2±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 141.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 749.88
ACD/KOC (pH 5.5): 1994.71
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7503.57
ACD/KOC (pH 7.4): 19959.75
Polar Surface Area: 36 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 404.1±5.0 cm3

Click to predict properties on the Chemicalize site


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