ChemSpider 2D Image | methyl 1-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethyl}-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate | C22H30N4O3S

methyl 1-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethyl}-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

  • Molecular FormulaC22H30N4O3S
  • Average mass430.564 Da
  • Monoisotopic mass430.203857 Da
  • ChemSpider ID23238531

More details:

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

1-{2-[(1-Méthyl-1H-imidazol-2-yl)sulfanyl]éthyl}-4-[phényl(propionyl)amino]-4-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl]-4-[(1-oxopropyl)phenylamino]-, methyl ester [ACD/Index Name]
methyl 1-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethyl}-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate
Methyl 1-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethyl}-4-[phenyl(propionyl)amino]-4-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-1-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethyl}-4-[phenyl(propionyl)amino]-4-piperidincarboxylat [German] [ACD/IUPAC Name]
1-[2-(1-Methyl-1H-imidazol-2-ylsulfanyl)-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: 581.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 305.3±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 122.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 7.81
ACD/KOC (pH 5.5): 79.29
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 70.31
ACD/KOC (pH 7.4): 713.66
Polar Surface Area: 93 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 356.4±7.0 cm3

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