ChemSpider 2D Image | Ethyl 6-{[4-(ethoxycarbonyl)-1-piperazinyl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C22H30N4O6

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

  • Molecular FormulaC22H30N4O6
  • Average mass446.497 Da
  • Monoisotopic mass446.216522 Da
  • ChemSpider ID21902425

More details:

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

5-Pyrimidinecarboxylic acid, 6-[[4-(ethoxycarbonyl)-1-piperazinyl]methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-, ethyl ester [ACD/Index Name]
6-{[4-(Éthoxycarbonyl)-1-pipérazinyl]méthyl}-4-(4-méthoxyphényl)-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-{[4-(ethoxycarbonyl)-1-piperazinyl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-6-{[4-(ethoxycarbonyl)-1-piperazinyl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
6-(4-Ethoxycarbonyl-piperazin-1-ylmethyl)-4-(4-methoxy-phenyl)-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
ethyl 6-{[4-(ethoxycarbonyl)piperazin-1-yl]methyl}-4-(4-methoxyphenyl)-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: 573.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 300.9±30.1 °C
Index of Refraction: 1.549
Molar Refractivity: 115.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.63
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 13.33
ACD/KOC (pH 7.4): 205.60
Polar Surface Area: 109 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 362.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement