ChemSpider 2D Image | 1-{4-[3-(3-Chloro-4-isopropoxyphenyl)-1,2,4-oxadiazol-5-yl]benzyl}-3-azetidinecarboxylic acid | C22H22ClN3O4

1-{4-[3-(3-Chloro-4-isopropoxyphenyl)-1,2,4-oxadiazol-5-yl]benzyl}-3-azetidinecarboxylic acid

  • Molecular FormulaC22H22ClN3O4
  • Average mass427.881 Da
  • Monoisotopic mass427.129883 Da
  • ChemSpider ID24808670

More details:

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

1-{4-[3-(3-Chlor-4-isopropoxyphenyl)-1,2,4-oxadiazol-5-yl]benzyl}-3-azetidincarbonsäure [German] [ACD/IUPAC Name]
1-{4-[3-(3-Chloro-4-isopropoxyphenyl)-1,2,4-oxadiazol-5-yl]benzyl}-3-azetidinecarboxylic acid [ACD/IUPAC Name]
3-Azetidinecarboxylic acid, 1-[[4-[3-[3-chloro-4-(1-methylethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]- [ACD/Index Name]
Acide 1-{4-[3-(3-chloro-4-isopropoxyphényl)-1,2,4-oxadiazol-5-yl]benzyl}-3-azétidinecarboxylique [French] [ACD/IUPAC Name]
Kinome_2341

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

Density: 1.3±0.1 g/cm3
Boiling Point: 602.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 318.4±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 111.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 3.16
ACD/KOC (pH 5.5): 15.58
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 2.75
ACD/KOC (pH 7.4): 13.56
Polar Surface Area: 89 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 321.7±3.0 cm3

Click to predict properties on the Chemicalize site


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