ChemSpider 2D Image | [(2S,5R)-5-{[(5-Fluoro-2-pyridinyl)oxy]methyl}-2-methyl-1-piperidinyl][5-methyl-2-(2-pyrimidinyl)phenyl]methanone | C24H25FN4O2

[(2S,5R)-5-{[(5-Fluoro-2-pyridinyl)oxy]methyl}-2-methyl-1-piperidinyl][5-methyl-2-(2-pyrimidinyl)phenyl]methanone

  • Molecular FormulaC24H25FN4O2
  • Average mass420.479 Da
  • Monoisotopic mass420.196167 Da
  • ChemSpider ID114391166

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2S,5R)-5-{[(5-Fluor-2-pyridinyl)oxy]methyl}-2-methyl-1-piperidinyl][5-methyl-2-(2-pyrimidinyl)phenyl]methanon [German] [ACD/IUPAC Name]
[(2S,5R)-5-{[(5-Fluoro-2-pyridinyl)oxy]methyl}-2-methyl-1-piperidinyl][5-methyl-2-(2-pyrimidinyl)phenyl]methanone [ACD/IUPAC Name]
[(2S,5R)-5-{[(5-Fluoro-2-pyridinyl)oxy]méthyl}-2-méthyl-1-pipéridinyl][5-méthyl-2-(2-pyrimidinyl)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [(2S,5R)-5-[[(5-fluoro-2-pyridinyl)oxy]methyl]-2-methyl-1-piperidinyl][5-methyl-2-(2-pyrimidinyl)phenyl]- [ACD/Index Name]
1088991-73-4 [RN]
MK-6096

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

Density: 1.2±0.1 g/cm3
Boiling Point: 540.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 280.5±30.1 °C
Index of Refraction: 1.576
Molar Refractivity: 115.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.81
ACD/KOC (pH 5.5): 828.52
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 83.82
ACD/KOC (pH 7.4): 828.62
Polar Surface Area: 68 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 349.4±3.0 cm3

Click to predict properties on the Chemicalize site


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