ChemSpider 2D Image | 1-{4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl}-2-(2-phenyl-1,3-thiazol-4-yl)ethanone | C28H25F2N3OS

1-{4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl}-2-(2-phenyl-1,3-thiazol-4-yl)ethanone

  • Molecular FormulaC28H25F2N3OS
  • Average mass489.579 Da
  • Monoisotopic mass489.168640 Da
  • ChemSpider ID60158629

More details:

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

1-{4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl}-2-(2-phenyl-1,3-thiazol-4-yl)ethanone [ACD/IUPAC Name]
1-{4-[Bis(4-fluorophényl)méthyl]-1-pipérazinyl}-2-(2-phényl-1,3-thiazol-4-yl)éthanone [French] [ACD/IUPAC Name]
1-{4-[Bis(4-fluorphenyl)methyl]-1-piperazinyl}-2-(2-phenyl-1,3-thiazol-4-yl)ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-2-(2-phenyl-4-thiazolyl)- [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: 636.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 339.0±34.3 °C
Index of Refraction: 1.624
Molar Refractivity: 133.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 3973.19
ACD/KOC (pH 5.5): 12533.44
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4653.86
ACD/KOC (pH 7.4): 14680.58
Polar Surface Area: 65 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 379.1±3.0 cm3

Click to predict properties on the Chemicalize site


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