ChemSpider 2D Image | 3-(4-Fluorophenyl)-6-({[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)pyridazine | C22H19FN4O4S

3-(4-Fluorophenyl)-6-({[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)pyridazine

  • Molecular FormulaC22H19FN4O4S
  • Average mass454.474 Da
  • Monoisotopic mass454.111115 Da
  • ChemSpider ID22986490

More details:

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

3-(4-Fluorophenyl)-6-({[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)pyridazine [ACD/IUPAC Name]
3-(4-Fluorophényl)-6-({[3-(3,4,5-triméthoxyphényl)-1,2,4-oxadiazol-5-yl]méthyl}sulfanyl)pyridazine [French] [ACD/IUPAC Name]
3-(4-Fluorphenyl)-6-({[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)pyridazin [German] [ACD/IUPAC Name]
Pyridazine, 3-(4-fluorophenyl)-6-[[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]thio]- [ACD/Index Name]
1115285-59-0 [RN]
3-(4-fluorophenyl)-6-({[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}thio)pyridazine
5-(((6-(4-fluorophenyl)pyridazin-3-yl)thio)methyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

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

Density: 1.4±0.1 g/cm3
Boiling Point: 657.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 351.5±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 116.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 268.38
ACD/KOC (pH 5.5): 1905.90
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 268.39
ACD/KOC (pH 7.4): 1905.96
Polar Surface Area: 118 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 70.6±5.0 dyne/cm
Molar Volume: 322.5±5.0 cm3

Click to predict properties on the Chemicalize site


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