ChemSpider 2D Image | 3-(3,4-Dimethoxyphenyl)-6-[({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyridazine | C22H17F3N4O3S

3-(3,4-Dimethoxyphenyl)-6-[({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyridazine

  • Molecular FormulaC22H17F3N4O3S
  • Average mass474.456 Da
  • Monoisotopic mass474.097351 Da
  • ChemSpider ID22986496

More details:

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

3-(3,4-Dimethoxyphenyl)-6-[({3-[4-(trifluormethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyridazin [German] [ACD/IUPAC Name]
3-(3,4-Dimethoxyphenyl)-6-[({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyridazine [ACD/IUPAC Name]
3-(3,4-Diméthoxyphényl)-6-[({3-[4-(trifluorométhyl)phényl]-1,2,4-oxadiazol-5-yl}méthyl)sulfanyl]pyridazine [French] [ACD/IUPAC Name]
Pyridazine, 3-(3,4-dimethoxyphenyl)-6-[[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thio]- [ACD/Index Name]
1115285-65-8 [RN]
3-(3,4-dimethoxyphenyl)-6-[({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)thio]pyridazine
5-(((6-(3,4-dimethoxyphenyl)pyridazin-3-yl)thio)methyl)-3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazole
5-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylmethyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

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

Density: 1.5±0.1 g/cm3
Boiling Point: 619.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 328.2±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 114.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1467.95
ACD/KOC (pH 5.5): 6431.68
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1468.01
ACD/KOC (pH 7.4): 6431.95
Polar Surface Area: 108 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 327.1±5.0 cm3

Click to predict properties on the Chemicalize site


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