ChemSpider 2D Image | N-(2-{4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl}-2-oxoethyl)cyclohexanecarboxamide | C26H31F2N3O2

N-(2-{4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl}-2-oxoethyl)cyclohexanecarboxamide

  • Molecular FormulaC26H31F2N3O2
  • Average mass455.540 Da
  • Monoisotopic mass455.238434 Da
  • ChemSpider ID21706972

More details:






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

Cyclohexanecarboxamide, N-[2-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl]- [ACD/Index Name]
N-(2-{4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl}-2-oxoethyl)cyclohexanecarboxamide [ACD/IUPAC Name]
N-(2-{4-[Bis(4-fluorophényl)méthyl]-1-pipérazinyl}-2-oxoéthyl)cyclohexanecarboxamide [French] [ACD/IUPAC Name]
N-(2-{4-[Bis(4-fluorphenyl)methyl]-1-piperazinyl}-2-oxoethyl)cyclohexancarboxamid [German] [ACD/IUPAC Name]
N-(2-{4-[BIS(4-FLUOROPHENYL)METHYL]PIPERAZIN-1-YL}-2-OXOETHYL)CYCLOHEXANECARBOXAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 626.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 332.9±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 122.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 162.00
ACD/KOC (pH 5.5): 1254.38
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 197.42
ACD/KOC (pH 7.4): 1528.65
Polar Surface Area: 53 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 371.9±3.0 cm3

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