ChemSpider 2D Image | 6-Propyl-2-[({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-4(1H)-pyrimidinone | C17H15F3N4O3S

6-Propyl-2-[({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-4(1H)-pyrimidinone

  • Molecular FormulaC17H15F3N4O3S
  • Average mass412.386 Da
  • Monoisotopic mass412.081696 Da
  • ChemSpider ID26311996

More details:

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

4(3H)-Pyrimidinone, 6-propyl-2-[[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thio]- [ACD/Index Name]
6-Propyl-2-[({3-[4-(trifluormethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
6-Propyl-2-[({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-4(1H)-pyrimidinone [ACD/IUPAC Name]
6-Propyl-2-[({3-[4-(trifluorométhoxy)phényl]-1,2,4-oxadiazol-5-yl}méthyl)sulfanyl]-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
1226453-52-6 [RN]
6-propyl-2-(((3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-5-yl)methyl)thio)pyrimidin-4(3H)-one
6-propyl-2-[({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-4-pyrimidinol

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.615
Molar Refractivity: 96.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 278.83
ACD/KOC (pH 5.5): 1954.72
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 178.27
ACD/KOC (pH 7.4): 1249.78
Polar Surface Area: 115 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 277.4±7.0 cm3

Click to predict properties on the Chemicalize site


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