ChemSpider 2D Image | Ethyl 1-methyl-6-{[3-methyl-4-(4-methylbenzoyl)-1-piperazinyl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C34H38N4O5

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

  • Molecular FormulaC34H38N4O5
  • Average mass582.689 Da
  • Monoisotopic mass582.284241 Da
  • ChemSpider ID22640957

More details:

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

1-Méthyl-6-{[3-méthyl-4-(4-méthylbenzoyl)-1-pipérazinyl]méthyl}-2-oxo-4-(3-phénoxyphényl)-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-1-methyl-6-[[3-methyl-4-(4-methylbenzoyl)-1-piperazinyl]methyl]-2-oxo-4-(3-phenoxyphenyl)-, ethyl ester [ACD/Index Name]
Ethyl 1-methyl-6-{[3-methyl-4-(4-methylbenzoyl)-1-piperazinyl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-methyl-6-{[3-methyl-4-(4-methylbenzoyl)-1-piperazinyl]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: 757.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 412.1±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 163.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 124.09
ACD/KOC (pH 5.5): 546.36
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1270.84
ACD/KOC (pH 7.4): 5595.36
Polar Surface Area: 91 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 483.7±3.0 cm3

Click to predict properties on the Chemicalize site


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