ChemSpider 2D Image | 2-({[2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-6-(trifluoromethyl)-4(1H)-pyrimidinone | C16H11ClF3N3O2S

2-({[2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-6-(trifluoromethyl)-4(1H)-pyrimidinone

  • Molecular FormulaC16H11ClF3N3O2S
  • Average mass401.791 Da
  • Monoisotopic mass401.021271 Da
  • ChemSpider ID22278360

More details:

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

2-({[2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-6-(trifluoromethyl)-4(1H)-pyrimidinone [ACD/IUPAC Name]
2-({[2-(4-Chlorophényl)-5-méthyl-1,3-oxazol-4-yl]méthyl}sulfanyl)-6-(trifluorométhyl)-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2-({[2-(4-Chlorphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-6-(trifluormethyl)-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Pyrimidinol, 2-[[[2-(4-chlorophenyl)-5-methyl-4-oxazolyl]methyl]thio]-6-(trifluoromethyl)- [ACD/Index Name]
1040635-40-2 [RN]
2-(((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methyl)thio)-6-(trifluoromethyl)pyrimidin-4-ol
2-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-6-(trifluoromethyl)pyrimidin-4-ol

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

Density: 1.6±0.1 g/cm3
Boiling Point: 556.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 290.2±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 90.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 380.88
ACD/KOC (pH 5.5): 1936.27
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 10.09
ACD/KOC (pH 7.4): 51.27
Polar Surface Area: 97 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 256.0±5.0 cm3

Click to predict properties on the Chemicalize site


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