ChemSpider 2D Image | Ethyl 1-ethyl-4-(3-methoxyphenyl)-6-{[3-methyl-4-(phenylcarbamoyl)-1-piperazinyl]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C29H37N5O5

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

  • Molecular FormulaC29H37N5O5
  • Average mass535.635 Da
  • Monoisotopic mass535.279480 Da
  • ChemSpider ID22686790

More details:

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

1-Éthyl-4-(3-méthoxyphényl)-6-{[3-méthyl-4-(phénylcarbamoyl)-1-pipérazinyl]méthyl}-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 1-ethyl-1,2,3,4-tetrahydro-4-(3-methoxyphenyl)-6-[[3-methyl-4-[(phenylamino)carbonyl]-1-piperazinyl]methyl]-2-oxo-, ethyl ester [ACD/Index Name]
Ethyl 1-ethyl-4-(3-methoxyphenyl)-6-{[3-methyl-4-(phenylcarbamoyl)-1-piperazinyl]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-ethyl-4-(3-methoxyphenyl)-6-{[3-methyl-4-(phenylcarbamoyl)-1-piperazinyl]methyl}-2-oxo-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: 1.2±0.1 g/cm3
Boiling Point: 752.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 408.9±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 147.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 2.75
ACD/KOC (pH 5.5): 23.09
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 87.36
ACD/KOC (pH 7.4): 734.46
Polar Surface Area: 103 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 440.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement