ChemSpider 2D Image | 5-benzyl-6-methyl-2-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidin-4-ol | C22H17F3N4O3S

5-benzyl-6-methyl-2-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidin-4-ol

  • Molecular FormulaC22H17F3N4O3S
  • Average mass474.456 Da
  • Monoisotopic mass474.097351 Da
  • ChemSpider ID29052563

More details:

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

1276433-30-7 [RN]
4-Pyrimidinol, 6-methyl-5-(phenylmethyl)-2-[[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thio]- [ACD/Index Name]
5-benzyl-6-methyl-2-(((3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-5-yl)methyl)thio)pyrimidin-4-ol
5-Benzyl-6-methyl-2-[({3-[4-(trifluormethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-4-pyrimidinol [German] [ACD/IUPAC Name]
5-Benzyl-6-methyl-2-[({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-4-pyrimidinol [ACD/IUPAC Name]
5-Benzyl-6-méthyl-2-[({3-[4-(trifluorométhoxy)phényl]-1,2,4-oxadiazol-5-yl}méthyl)sulfanyl]-4-pyrimidinol [French] [ACD/IUPAC Name]
5-benzyl-6-methyl-2-[({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 598.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 315.6±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 114.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3062.36
ACD/KOC (pH 5.5): 10664.40
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2108.67
ACD/KOC (pH 7.4): 7343.25
Polar Surface Area: 119 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 72.0±5.0 dyne/cm
Molar Volume: 318.4±5.0 cm3

Click to predict properties on the Chemicalize site


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