ChemSpider 2D Image | Ethyl 6-{[4-(2,5-dimethylphenyl)-1-piperazinyl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C27H34N4O4

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

  • Molecular FormulaC27H34N4O4
  • Average mass478.583 Da
  • Monoisotopic mass478.257996 Da
  • ChemSpider ID21902432

More details:

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

5-Pyrimidinecarboxylic acid, 6-[[4-(2,5-dimethylphenyl)-1-piperazinyl]methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-, ethyl ester [ACD/Index Name]
6-{[4-(2,5-Diméthylphényl)-1-pipérazinyl]méthyl}-4-(4-méthoxyphényl)-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-{[4-(2,5-dimethylphenyl)-1-piperazinyl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-6-{[4-(2,5-dimethylphenyl)-1-piperazinyl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
6-[4-(2,5-Dimethyl-phenyl)-piperazin-1-ylmethyl]-4-(4-methoxy-phenyl)-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
ethyl 6-{[4-(2,5-dimethylphenyl)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: 626.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 333.0±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 133.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 16.89
ACD/KOC (pH 5.5): 93.60
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 426.42
ACD/KOC (pH 7.4): 2362.62
Polar Surface Area: 83 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 405.5±3.0 cm3

Click to predict properties on the Chemicalize site


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