ChemSpider 2D Image | N-{2-[({4-Cyano-4-[2-(trifluoromethoxy)phenyl]cyclohexyl}methyl)amino]-3-pyridinyl}-3,3,3-trifluoropropanamide | C23H22F6N4O2

N-{2-[({4-Cyano-4-[2-(trifluoromethoxy)phenyl]cyclohexyl}methyl)amino]-3-pyridinyl}-3,3,3-trifluoropropanamide

  • Molecular FormulaC23H22F6N4O2
  • Average mass500.437 Da
  • Monoisotopic mass500.164703 Da
  • ChemSpider ID23292746

More details:

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

N-{2-[({4-Cyan-4-[2-(trifluormethoxy)phenyl]cyclohexyl}methyl)amino]-3-pyridinyl}-3,3,3-trifluorpropanamid [German] [ACD/IUPAC Name]
N-{2-[({4-Cyano-4-[2-(trifluoromethoxy)phenyl]cyclohexyl}methyl)amino]-3-pyridinyl}-3,3,3-trifluoropropanamide [ACD/IUPAC Name]
N-{2-[({4-Cyano-4-[2-(trifluorométhoxy)phényl]cyclohexyl}méthyl)amino]-3-pyridinyl}-3,3,3-trifluoropropanamide [French] [ACD/IUPAC Name]
N-{2-[({4-cyano-4-[2-(trifluoromethoxy)phenyl]cyclohexyl}methyl)amino]pyridin-3-yl}-3,3,3-trifluoropropanamide
propanamide, N-[2-[[[4-cyano-4-[2-(trifluoromethoxy)phenyl]cyclohexyl]methyl]amino]-3-pyridinyl]-3,3,3-trifluoro- [ACD/Index Name]
CHEMBL233887
N-(2-((4-cyano-4-(2-(trifluoromethoxy)phenyl)cyclohexyl)methylamino)pyridin-3-yl)-3,3,3-trifluoropropanamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 599.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 316.3±30.1 °C
Index of Refraction: 1.534
Molar Refractivity: 112.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 2966.05
ACD/KOC (pH 5.5): 9211.79
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4885.94
ACD/KOC (pH 7.4): 15174.44
Polar Surface Area: 87 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 362.0±5.0 cm3

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