ChemSpider 2D Image | Methyl 1-{2-[5-methyl-2-(methylsulfanyl)-6-oxo-1(6H)-pyrimidinyl]ethyl}-4-[phenyl(propionyl)amino]-4-piperidinecarboxylate | C24H32N4O4S

Methyl 1-{2-[5-methyl-2-(methylsulfanyl)-6-oxo-1(6H)-pyrimidinyl]ethyl}-4-[phenyl(propionyl)amino]-4-piperidinecarboxylate

  • Molecular FormulaC24H32N4O4S
  • Average mass472.600 Da
  • Monoisotopic mass472.214417 Da
  • ChemSpider ID23238291

More details:






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

1-{2-[5-Méthyl-2-(méthylsulfanyl)-6-oxo-1(6H)-pyrimidinyl]éthyl}-4-[phényl(propionyl)amino]-4-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[2-[5-methyl-2-(methylthio)-6-oxo-1(6H)-pyrimidinyl]ethyl]-4-[(1-oxopropyl)phenylamino]-, methyl ester [ACD/Index Name]
Methyl 1-{2-[5-methyl-2-(methylsulfanyl)-6-oxo-1(6H)-pyrimidinyl]ethyl}-4-[phenyl(propionyl)amino]-4-piperidinecarboxylate [ACD/IUPAC Name]
methyl 1-{2-[5-methyl-2-(methylsulfanyl)-6-oxopyrimidin-1(6H)-yl]ethyl}-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate
Methyl-1-{2-[5-methyl-2-(methylsulfanyl)-6-oxo-1(6H)-pyrimidinyl]ethyl}-4-[phenyl(propionyl)amino]-4-piperidincarboxylat [German] [ACD/IUPAC Name]
1-[2-(5-Methyl-2-methylsulfanyl-6-oxo-6H-pyrimidin-1-yl)-ethyl]-4-(phenyl-propionyl-amino)-piperidine-4-carboxylic acid methyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 600.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.7±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 132.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.60
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 14.91
ACD/KOC (pH 7.4): 222.94
Polar Surface Area: 108 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 384.9±7.0 cm3

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