ChemSpider 2D Image | 6-(4-Methoxyphenyl)-2-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3(2H)-pyridazinone | C21H15F3N4O3

6-(4-Methoxyphenyl)-2-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3(2H)-pyridazinone

  • Molecular FormulaC21H15F3N4O3
  • Average mass428.364 Da
  • Monoisotopic mass428.109619 Da
  • ChemSpider ID22280268

More details:

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

3(2H)-Pyridazinone, 6-(4-methoxyphenyl)-2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]- [ACD/Index Name]
6-(4-Methoxyphenyl)-2-({3-[4-(trifluormethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3(2H)-pyridazinon [German] [ACD/IUPAC Name]
6-(4-Methoxyphenyl)-2-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3(2H)-pyridazinone [ACD/IUPAC Name]
6-(4-Méthoxyphényl)-2-({3-[4-(trifluorométhyl)phényl]-1,2,4-oxadiazol-5-yl}méthyl)-3(2H)-pyridazinone [French] [ACD/IUPAC Name]
1040643-14-8 [RN]
6-(4-methoxyphenyl)-2-((3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)methyl)pyridazin-3(2H)-one
6-(4-methoxyphenyl)-2-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2,3-dihydropyridazin-3-one
6-(4-methoxyphenyl)-2-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)pyridazin-3(2H)-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 551.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 287.1±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 105.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 200.36
ACD/KOC (pH 5.5): 1546.11
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 200.36
ACD/KOC (pH 7.4): 1546.11
Polar Surface Area: 81 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 304.7±7.0 cm3

Click to predict properties on the Chemicalize site


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