ChemSpider 2D Image | 3-(Diphenylmethylene)-1-(4-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}butyl)-2,5-pyrrolidinedione | C32H32F3N3O2

3-(Diphenylmethylene)-1-(4-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}butyl)-2,5-pyrrolidinedione

  • Molecular FormulaC32H32F3N3O2
  • Average mass547.611 Da
  • Monoisotopic mass547.244690 Da
  • ChemSpider ID8944284

More details:

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

2,5-Pyrrolidinedione, 3-(diphenylmethylene)-1-[4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]butyl]- [ACD/Index Name]
3-(Diphenylmethylen)-1-(4-{4-[3-(trifluormethyl)phenyl]-1-piperazinyl}butyl)-2,5-pyrrolidindion [German] [ACD/IUPAC Name]
3-(Diphenylmethylene)-1-(4-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}butyl)-2,5-pyrrolidinedione [ACD/IUPAC Name]
3-(Diphénylméthylène)-1-(4-{4-[3-(trifluorométhyl)phényl]-1-pipérazinyl}butyl)-2,5-pyrrolidinedione [French] [ACD/IUPAC Name]
3-(diphenylmethylidene)-1-(4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)pyrrolidine-2,5-dione
3-Benzhydrylidene-1-{4-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-butyl}-pyrrolidine-2,5-dione
CHEMBL144210

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

Density: 1.2±0.1 g/cm3
Boiling Point: 657.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.4±34.3 °C
Index of Refraction: 1.586
Molar Refractivity: 147.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.17
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 393.37
ACD/KOC (pH 5.5): 736.61
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 14762.86
ACD/KOC (pH 7.4): 27644.18
Polar Surface Area: 44 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 439.9±3.0 cm3

Click to predict properties on the Chemicalize site


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