ChemSpider 2D Image | 1-[2-(4-Chlorophenoxy)ethyl]-4-({3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl}methyl)piperazine | C22H24ClFN4O3

1-[2-(4-Chlorophenoxy)ethyl]-4-({3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl}methyl)piperazine

  • Molecular FormulaC22H24ClFN4O3
  • Average mass446.902 Da
  • Monoisotopic mass446.152100 Da
  • ChemSpider ID30606070

More details:






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

1-[2-(4-Chlorophenoxy)ethyl]-4-({3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl}methyl)piperazine [ACD/IUPAC Name]
1-[2-(4-Chlorophénoxy)éthyl]-4-({3-[(4-fluorophénoxy)méthyl]-1,2,4-oxadiazol-5-yl}méthyl)pipérazine [French] [ACD/IUPAC Name]
1-[2-(4-Chlorphenoxy)ethyl]-4-({3-[(4-fluorphenoxy)methyl]-1,2,4-oxadiazol-5-yl}methyl)piperazin [German] [ACD/IUPAC Name]
Piperazine, 1-[2-(4-chlorophenoxy)ethyl]-4-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 598.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.7±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 114.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 20.88
ACD/KOC (pH 5.5): 176.09
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 136.28
ACD/KOC (pH 7.4): 1149.16
Polar Surface Area: 64 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 343.0±3.0 cm3

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