ChemSpider 2D Image | N-Ethyl-N-{2-phenyl-1-[1-(2,3,6-trifluorobenzyl)-4-piperidinyl]ethyl}tetrahydro-2H-pyran-4-carboxamide | C28H35F3N2O2

N-Ethyl-N-{2-phenyl-1-[1-(2,3,6-trifluorobenzyl)-4-piperidinyl]ethyl}tetrahydro-2H-pyran-4-carboxamide

  • Molecular FormulaC28H35F3N2O2
  • Average mass488.585 Da
  • Monoisotopic mass488.265076 Da
  • ChemSpider ID22119601

More details:






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

2H-Pyran-4-carboxamide, N-ethyltetrahydro-N-[2-phenyl-1-[1-[(2,3,6-trifluorophenyl)methyl]-4-piperidinyl]ethyl]- [ACD/Index Name]
N-Ethyl-N-{2-phenyl-1-[1-(2,3,6-trifluorbenzyl)-4-piperidinyl]ethyl}tetrahydro-2H-pyran-4-carboxamid [German] [ACD/IUPAC Name]
N-Ethyl-N-{2-phenyl-1-[1-(2,3,6-trifluorobenzyl)-4-piperidinyl]ethyl}tetrahydro-2H-pyran-4-carboxamide [ACD/IUPAC Name]
N-Éthyl-N-{2-phényl-1-[1-(2,3,6-trifluorobenzyl)-4-pipéridinyl]éthyl}tétrahydro-2H-pyrane-4-carboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 581.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.5±30.1 °C
Index of Refraction: 1.547
Molar Refractivity: 129.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 134.99
ACD/KOC (pH 5.5): 456.18
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2740.73
ACD/KOC (pH 7.4): 9261.75
Polar Surface Area: 33 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 408.7±3.0 cm3

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