ChemSpider 2D Image | 1-(2-Chloro-6-fluorobenzyl)-4-({3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl}methyl)piperazine | C22H24ClFN4O3

1-(2-Chloro-6-fluorobenzyl)-4-({3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl}methyl)piperazine

  • Molecular FormulaC22H24ClFN4O3
  • Average mass446.902 Da
  • Monoisotopic mass446.152100 Da
  • ChemSpider ID22468307

More details:






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

1-(2-Chlor-6-fluorbenzyl)-4-({3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl}methyl)piperazin [German] [ACD/IUPAC Name]
1-(2-Chloro-6-fluorobenzyl)-4-({3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl}methyl)piperazine [ACD/IUPAC Name]
1-(2-Chloro-6-fluorobenzyl)-4-({3-[(4-méthoxyphénoxy)méthyl]-1,2,4-oxadiazol-5-yl}méthyl)pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[(2-chloro-6-fluorophenyl)methyl]-4-[[3-[(4-methoxyphenoxy)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: 579.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.4±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 115.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 40.33
ACD/KOC (pH 5.5): 414.63
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 72.31
ACD/KOC (pH 7.4): 743.29
Polar Surface Area: 64 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 339.3±3.0 cm3

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