ChemSpider 2D Image | Ethyl 6-{[4-(ethoxycarbonyl)-1-piperidinyl]methyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C23H31N3O5

Ethyl 6-{[4-(ethoxycarbonyl)-1-piperidinyl]methyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC23H31N3O5
  • Average mass429.509 Da
  • Monoisotopic mass429.226379 Da
  • ChemSpider ID21921888

More details:

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

5-Pyrimidinecarboxylic acid, 6-[[4-(ethoxycarbonyl)-1-piperidinyl]methyl]-1,2,3,4-tetrahydro-4-(4-methylphenyl)-2-oxo-, ethyl ester [ACD/Index Name]
6-{[4-(Éthoxycarbonyl)-1-pipéridinyl]méthyl}-4-(4-méthylphényl)-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-{[4-(ethoxycarbonyl)-1-piperidinyl]methyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-6-{[4-(ethoxycarbonyl)-1-piperidinyl]methyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
6-(4-Ethoxycarbonyl-piperidin-1-ylmethyl)-2-oxo-4-p-tolyl-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
ethyl 6-{[4-(ethoxycarbonyl)piperidin-1-yl]methyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 543.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 282.4±30.1 °C
Index of Refraction: 1.542
Molar Refractivity: 114.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.33
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 4.53
ACD/KOC (pH 7.4): 41.73
Polar Surface Area: 97 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 364.1±3.0 cm3

Click to predict properties on the Chemicalize site


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