ChemSpider 2D Image | N-{1-[3,5-Bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-4-[4-(1-hydroxyvinyl)-1-piperazinyl]-N-methyl-1-piperidinecarboxamide | C30H35F7N4O2

N-{1-[3,5-Bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-4-[4-(1-hydroxyvinyl)-1-piperazinyl]-N-methyl-1-piperidinecarboxamide

  • Molecular FormulaC30H35F7N4O2
  • Average mass616.613 Da
  • Monoisotopic mass616.264832 Da
  • ChemSpider ID95640443

More details:

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

1-Piperidinecarboxamide, N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-4-[4-(1-hydroxyethenyl)-1-piperazinyl]-N-methyl- [ACD/Index Name]
N-{1-[3,5-Bis(trifluormethyl)phenyl]ethyl}-2-(4-fluor-2-methylphenyl)-4-[4-(1-hydroxyvinyl)-1-piperazinyl]-N-methyl-1-piperidincarboxamid [German] [ACD/IUPAC Name]
N-{1-[3,5-Bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-4-[4-(1-hydroxyvinyl)-1-piperazinyl]-N-methyl-1-piperidinecarboxamide [ACD/IUPAC Name]
N-{1-[3,5-Bis(trifluorométhyl)phényl]éthyl}-2-(4-fluoro-2-méthylphényl)-4-[4-(1-hydroxyvinyl)-1-pipérazinyl]-N-méthyl-1-pipéridinecarboxamide [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: 618.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 327.9±31.5 °C
Index of Refraction: 1.534
Molar Refractivity: 146.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 142.48
ACD/KOC (pH 5.5): 295.60
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 183.31
ACD/KOC (pH 7.4): 380.32
Polar Surface Area: 50 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 470.9±3.0 cm3

Click to predict properties on the Chemicalize site


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