ChemSpider 2D Image | Ethyl 4-(4-chlorophenyl)-2-oxo-6-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C20H17ClF3N3O4

Ethyl 4-(4-chlorophenyl)-2-oxo-6-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC20H17ClF3N3O4
  • Average mass455.815 Da
  • Monoisotopic mass455.085968 Da
  • ChemSpider ID31292218

More details:

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

4-(4-Chlorophényl)-2-oxo-6-{[2-oxo-5-(trifluorométhyl)-1(2H)-pyridinyl]méthyl}-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 4-(4-chlorophenyl)-1,2,3,4-tetrahydro-2-oxo-6-[[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl]-, ethyl ester [ACD/Index Name]
Ethyl 4-(4-chlorophenyl)-2-oxo-6-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(4-chlorphenyl)-2-oxo-6-{[2-oxo-5-(trifluormethyl)-1(2H)-pyridinyl]methyl}-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 553.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 288.8±30.1 °C
Index of Refraction: 1.559
Molar Refractivity: 103.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 70.60
ACD/KOC (pH 5.5): 732.83
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 70.52
ACD/KOC (pH 7.4): 731.93
Polar Surface Area: 88 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 319.8±3.0 cm3

Click to predict properties on the Chemicalize site


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