ChemSpider 2D Image | 5-{[(2-Chloro-6-fluorobenzyl)sulfanyl]methyl}-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole | C18H16ClFN2O3S

5-{[(2-Chloro-6-fluorobenzyl)sulfanyl]methyl}-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole

  • Molecular FormulaC18H16ClFN2O3S
  • Average mass394.848 Da
  • Monoisotopic mass394.055420 Da
  • ChemSpider ID30525757

More details:

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

1,2,4-Oxadiazole, 5-[[[(2-chloro-6-fluorophenyl)methyl]thio]methyl]-3-(2,4-dimethoxyphenyl)- [ACD/Index Name]
5-{[(2-Chlor-6-fluorbenzyl)sulfanyl]methyl}-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
5-{[(2-Chloro-6-fluorobenzyl)sulfanyl]methyl}-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole [ACD/IUPAC Name]
5-{[(2-Chloro-6-fluorobenzyl)sulfanyl]méthyl}-3-(2,4-diméthoxyphényl)-1,2,4-oxadiazole [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 530.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 274.4±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 99.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2048.90
ACD/KOC (pH 5.5): 8165.52
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2048.90
ACD/KOC (pH 7.4): 8165.52
Polar Surface Area: 83 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 295.6±3.0 cm3

Click to predict properties on the Chemicalize site


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