ChemSpider 2D Image | 1-{4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl}-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-propanone | C25H27F2N3O2

1-{4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl}-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-propanone

  • Molecular FormulaC25H27F2N3O2
  • Average mass439.498 Da
  • Monoisotopic mass439.207123 Da
  • ChemSpider ID22371469

More details:

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

1-{4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl}-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-propanone [ACD/IUPAC Name]
1-{4-[Bis(4-fluorophényl)méthyl]-1-pipérazinyl}-3-(3,5-diméthyl-1,2-oxazol-4-yl)-1-propanone [French] [ACD/IUPAC Name]
1-{4-[Bis(4-fluorphenyl)methyl]-1-piperazinyl}-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 1-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-3-(3,5-dimethyl-4-isoxazolyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 579.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.2±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 117.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 303.00
ACD/KOC (pH 5.5): 1939.76
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 385.24
ACD/KOC (pH 7.4): 2466.30
Polar Surface Area: 50 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 356.2±3.0 cm3

Click to predict properties on the Chemicalize site


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