Found 1 result

Search term: DMSJDEOGYRYVRN-RVWIWJKTSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 5-[(4-{cis-4-[3-(Trifluoromethyl)phenyl]cyclohexyl}-1-piperazinyl)methyl]-2(1H)-pyridinone | C23H28F3N3O

5-[(4-{cis-4-[3-(Trifluoromethyl)phenyl]cyclohexyl}-1-piperazinyl)methyl]-2(1H)-pyridinone

  • Molecular FormulaC23H28F3N3O
  • Average mass419.483 Da
  • Monoisotopic mass419.218445 Da
  • ChemSpider ID116084549

  • 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-[cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-1-piperazinyl]methyl]- [ACD/Index Name]
5-[(4-{cis-4-[3-(Trifluormethyl)phenyl]cyclohexyl}-1-piperazinyl)methyl]-2(1H)-pyridinon [German] [ACD/IUPAC Name]
5-[(4-{cis-4-[3-(Trifluoromethyl)phenyl]cyclohexyl}-1-piperazinyl)methyl]-2(1H)-pyridinone [ACD/IUPAC Name]
5-[(4-{cis-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: 1.2±0.1 g/cm3
Boiling Point: 552.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 287.8±30.1 °C
Index of Refraction: 1.548
Molar Refractivity: 109.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.27
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 20.00
ACD/KOC (pH 7.4): 209.70
Polar Surface Area: 36 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 343.6±3.0 cm3

Click to predict properties on the Chemicalize site


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