ChemSpider 2D Image | Ethyl 6-{[4-(3-methoxybenzoyl)-1-piperazinyl]methyl}-1-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C33H36N4O6

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

  • Molecular FormulaC33H36N4O6
  • Average mass584.662 Da
  • Monoisotopic mass584.263489 Da
  • ChemSpider ID22631542

More details:

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

5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-[[4-(3-methoxybenzoyl)-1-piperazinyl]methyl]-1-methyl-2-oxo-4-(3-phenoxyphenyl)-, ethyl ester [ACD/Index Name]
6-{[4-(3-Méthoxybenzoyl)-1-pipérazinyl]méthyl}-1-méthyl-2-oxo-4-(3-phénoxyphényl)-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-{[4-(3-methoxybenzoyl)-1-piperazinyl]methyl}-1-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-6-{[4-(3-methoxybenzoyl)-1-piperazinyl]methyl}-1-methyl-2-oxo-4-(3-phenoxyphenyl)-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: 771.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 420.2±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 160.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 11.43
ACD/KOC (pH 5.5): 64.28
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 360.92
ACD/KOC (pH 7.4): 2030.43
Polar Surface Area: 101 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 471.4±3.0 cm3

Click to predict properties on the Chemicalize site


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