ChemSpider 2D Image | Ethyl 4-(4-hydroxy-3-methoxyphenyl)-6-{[4-(3-methoxyphenyl)-3-methyl-1-piperazinyl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C28H36N4O6

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

  • Molecular FormulaC28H36N4O6
  • Average mass524.609 Da
  • Monoisotopic mass524.263489 Da
  • ChemSpider ID23487024

More details:

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

4-(4-Hydroxy-3-méthoxyphényl)-6-{[4-(3-méthoxyphényl)-3-méthyl-1-pipérazinyl]méthyl}-1-méthyl-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(4-hydroxy-3-methoxyphenyl)-6-[[4-(3-methoxyphenyl)-3-methyl-1-piperazinyl]methyl]-1-methyl-2-oxo-, ethyl ester [ACD/Index Name]
Ethyl 4-(4-hydroxy-3-methoxyphenyl)-6-{[4-(3-methoxyphenyl)-3-methyl-1-piperazinyl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(4-hydroxy-3-methoxyphenyl)-6-{[4-(3-methoxyphenyl)-3-methyl-1-piperazinyl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
4-(4-Hydroxy-3-methoxy-phenyl)-6-[4-(3-methoxy-phenyl)-3-methyl-piperazin-1-ylmethyl]-1-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
ethyl 4-(4-hydroxy-3-methoxyphenyl)-6-{[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ETHYL 6-(4-HYDROXY-3-METHOXYPHENYL)-4-[[4-(3-METHOXYPHENYL)-3-METHYLPIPERAZIN-1-YL]METHYL]-3-METHYL-2-OXO-1,6-DIHYDROPYRIMIDINE-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: 722.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 390.8±32.9 °C
Index of Refraction: 1.576
Molar Refractivity: 142.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 2.53
ACD/KOC (pH 5.5): 27.75
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 44.85
ACD/KOC (pH 7.4): 492.99
Polar Surface Area: 104 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 430.4±3.0 cm3

Click to predict properties on the Chemicalize site


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