Found 316 results

Search term: MF = 'C_{28}H_{24}ClF_{3}N_{2}O_{3}'
ChemSpider 2D Image | 8-[(4-Benzyl-1-piperazinyl)methyl]-3-(4-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one | C28H24ClF3N2O3

8-[(4-Benzyl-1-piperazinyl)methyl]-3-(4-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

  • Molecular FormulaC28H24ClF3N2O3
  • Average mass528.950 Da
  • Monoisotopic mass528.142761 Da
  • ChemSpider ID23516904

More details:

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

4H-1-Benzopyran-4-one, 3-(4-chlorophenyl)-7-hydroxy-8-[[4-(phenylmethyl)-1-piperazinyl]methyl]-2-(trifluoromethyl)- [ACD/Index Name]
8-[(4-Benzyl-1-piperazinyl)methyl]-3-(4-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one [ACD/IUPAC Name]
8-[(4-Benzyl-1-pipérazinyl)méthyl]-3-(4-chlorophényl)-7-hydroxy-2-(trifluorométhyl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
8-[(4-Benzyl-1-piperazinyl)methyl]-3-(4-chlorphenyl)-7-hydroxy-2-(trifluormethyl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
8-[(4-Benzylpiperazin-1-yl)methyl]-3-(4-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 611.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 323.8±31.5 °C
Index of Refraction: 1.627
Molar Refractivity: 133.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 682.36
ACD/KOC (pH 5.5): 1508.22
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 1116.39
ACD/KOC (pH 7.4): 2467.58
Polar Surface Area: 53 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 376.5±3.0 cm3

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