ChemSpider 2D Image | 2-{5-[1-(2-Chloro-3,4-dimethoxybenzyl)-4-fluoro-4-piperidinyl]-1,2,4-oxadiazol-3-yl}pyrazine | C20H21ClFN5O3

2-{5-[1-(2-Chloro-3,4-dimethoxybenzyl)-4-fluoro-4-piperidinyl]-1,2,4-oxadiazol-3-yl}pyrazine

  • Molecular FormulaC20H21ClFN5O3
  • Average mass433.864 Da
  • Monoisotopic mass433.131683 Da
  • ChemSpider ID53595018

More details:

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

2-{5-[1-(2-Chlor-3,4-dimethoxybenzyl)-4-fluor-4-piperidinyl]-1,2,4-oxadiazol-3-yl}pyrazin [German] [ACD/IUPAC Name]
2-{5-[1-(2-Chloro-3,4-dimethoxybenzyl)-4-fluoro-4-piperidinyl]-1,2,4-oxadiazol-3-yl}pyrazine [ACD/IUPAC Name]
2-{5-[1-(2-Chloro-3,4-diméthoxybenzyl)-4-fluoro-4-pipéridinyl]-1,2,4-oxadiazol-3-yl}pyrazine [French] [ACD/IUPAC Name]
Pyrazine, 2-[5-[1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-4-fluoro-4-piperidinyl]-1,2,4-oxadiazol-3-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 560.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.9±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 107.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 124.33
ACD/KOC (pH 5.5): 1046.09
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 147.45
ACD/KOC (pH 7.4): 1240.60
Polar Surface Area: 86 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 308.7±5.0 cm3

Click to predict properties on the Chemicalize site


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