ChemSpider 2D Image | 1-{4-[5-({[1-(4-Chlorophenyl)cyclobutyl]methoxy}methyl)-1,2,4-oxadiazol-3-yl]-3-fluorobenzyl}-3-azetidinecarboxylic acid | C25H25ClFN3O4

1-{4-[5-({[1-(4-Chlorophenyl)cyclobutyl]methoxy}methyl)-1,2,4-oxadiazol-3-yl]-3-fluorobenzyl}-3-azetidinecarboxylic acid

  • Molecular FormulaC25H25ClFN3O4
  • Average mass485.935 Da
  • Monoisotopic mass485.151764 Da
  • ChemSpider ID58938910

More details:






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

1-{4-[5-({[1-(4-Chlorophenyl)cyclobutyl]methoxy}methyl)-1,2,4-oxadiazol-3-yl]-3-fluorobenzyl}-3-azetidinecarboxylic acid [ACD/IUPAC Name]
1-{4-[5-({[1-(4-Chlorphenyl)cyclobutyl]methoxy}methyl)-1,2,4-oxadiazol-3-yl]-3-fluorbenzyl}-3-azetidincarbonsäure [German] [ACD/IUPAC Name]
3-Azetidinecarboxylic acid, 1-[[4-[5-[[[1-(4-chlorophenyl)cyclobutyl]methoxy]methyl]-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]- [ACD/Index Name]
Acide 1-{4-[5-({[1-(4-chlorophényl)cyclobutyl]méthoxy}méthyl)-1,2,4-oxadiazol-3-yl]-3-fluorobenzyl}-3-azétidinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 627.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 333.1±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 122.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 2.30
ACD/KOC (pH 5.5): 12.37
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 2.05
ACD/KOC (pH 7.4): 11.06
Polar Surface Area: 89 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 352.1±3.0 cm3

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