ChemSpider 2D Image | 5-{[4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]methyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole | C21H16F3N3O3S

5-{[4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]methyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

  • Molecular FormulaC21H16F3N3O3S
  • Average mass447.430 Da
  • Monoisotopic mass447.086456 Da
  • ChemSpider ID21779710

More details:

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

1,2,4-Oxadiazole, 5-[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]methyl]-3-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
5-{[4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]methyl}-3-[4-(trifluormethyl)phenyl]-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
5-{[4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]methyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole [ACD/IUPAC Name]
5-{[4-(3,4-Diméthoxyphényl)-1,3-thiazol-2-yl]méthyl}-3-[4-(trifluorométhyl)phényl]-1,2,4-oxadiazole [French] [ACD/IUPAC Name]
1115908-50-3 [RN]
2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio}quinazolin-4(3H)-one
5-((4-(3,4-dimethoxyphenyl)thiazol-2-yl)methyl)-3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazole
5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

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

Density: 1.3±0.1 g/cm3
Boiling Point: 551.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 287.4±32.9 °C
Index of Refraction: 1.563
Molar Refractivity: 108.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2599.40
ACD/KOC (pH 5.5): 9681.71
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2599.59
ACD/KOC (pH 7.4): 9682.44
Polar Surface Area: 99 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 332.9±3.0 cm3

Click to predict properties on the Chemicalize site


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