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Search term: HGNRFWCPFKHVCH-AQYVVDRMSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 5-[(4-{trans-4-Hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}-1-piperazinyl)methyl]-2(1H)-pyridinone | C23H28F3N3O2

5-[(4-{trans-4-Hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}-1-piperazinyl)methyl]-2(1H)-pyridinone

  • Molecular FormulaC23H28F3N3O2
  • Average mass435.483 Da
  • Monoisotopic mass435.213348 Da
  • ChemSpider ID116084551

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2(1H)-Pyridinone, 5-[[4-[trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-1-piperazinyl]methyl]- [ACD/Index Name]
5-[(4-{trans-4-Hydroxy-4-[3-(trifluormethyl)phenyl]cyclohexyl}-1-piperazinyl)methyl]-2(1H)-pyridinon [German] [ACD/IUPAC Name]
5-[(4-{trans-4-Hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}-1-piperazinyl)methyl]-2(1H)-pyridinone [ACD/IUPAC Name]
5-[(4-{trans-4-Hydroxy-4-[3-(trifluorométhyl)phényl]cyclohexyl}-1-pipérazinyl)méthyl]-2(1H)-pyridinone [French] [ACD/IUPAC 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: 584.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 307.4±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 110.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.09
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.20
ACD/KOC (pH 7.4): 47.34
Polar Surface Area: 56 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 339.0±3.0 cm3

Click to predict properties on the Chemicalize site


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