ChemSpider 2D Image | 5PAM523 | C20H18F2N4O2

5PAM523

  • Molecular FormulaC20H18F2N4O2
  • Average mass384.379 Da
  • Monoisotopic mass384.139771 Da
  • ChemSpider ID34980729

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4-Fluorophenyl){(2R,5S)-5-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1-piperidinyl}methanone [ACD/IUPAC Name]
(4-Fluorophényl){(2R,5S)-5-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-méthyl-1-pipéridinyl}méthanone [French] [ACD/IUPAC Name]
(4-Fluorphenyl){(2R,5S)-5-[5-(5-fluor-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1-piperidinyl}methanon [German] [ACD/IUPAC Name]
5PAM523
Methanone, (4-fluorophenyl)[(2R,5S)-5-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1-piperidinyl]- [ACD/Index Name]
5-fluoro-2-{3-[(3S,6R)-1-[(4-fluorophenyl)carbonyl]-6-methylpiperidin-3-yl]-1,2,4-oxadiazol-5-yl}pyridine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 552.0±60.0 °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: 287.7±32.9 °C
Index of Refraction: 1.569
Molar Refractivity: 96.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 85.76
ACD/KOC (pH 5.5): 842.25
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 85.76
ACD/KOC (pH 7.4): 842.25
Polar Surface Area: 72 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 294.9±3.0 cm3

Click to predict properties on the Chemicalize site


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