ChemSpider 2D Image | Ethyl 6-{[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl}-2-oxo-4-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C23H27ClN4O3S

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

  • Molecular FormulaC23H27ClN4O3S
  • Average mass475.004 Da
  • Monoisotopic mass474.149231 Da
  • ChemSpider ID21921486

More details:

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

5-Pyrimidinecarboxylic acid, 6-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]-1,2,3,4-tetrahydro-2-oxo-4-(2-thienyl)-, ethyl ester [ACD/Index Name]
6-{[4-(5-Chloro-2-méthylphényl)-1-pipérazinyl]méthyl}-2-oxo-4-(2-thiényl)-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-{[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl}-2-oxo-4-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-6-{[4-(5-chlor-2-methylphenyl)-1-piperazinyl]methyl}-2-oxo-4-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
ethyl 6-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 617.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.3±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 125.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 57.26
ACD/KOC (pH 5.5): 314.08
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 585.93
ACD/KOC (pH 7.4): 3213.65
Polar Surface Area: 102 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 366.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement