ChemSpider 2D Image | Ethyl 1-{(6-ethyl-2-oxo-1,2-dihydro-3-quinolinyl)[1-(2-phenylethyl)-1H-tetrazol-5-yl]methyl}-4-piperidinecarboxylate | C29H34N6O3

Ethyl 1-{(6-ethyl-2-oxo-1,2-dihydro-3-quinolinyl)[1-(2-phenylethyl)-1H-tetrazol-5-yl]methyl}-4-piperidinecarboxylate

  • Molecular FormulaC29H34N6O3
  • Average mass514.619 Da
  • Monoisotopic mass514.269226 Da
  • ChemSpider ID2446963

More details:

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

1-{(6-Éthyl-2-oxo-1,2-dihydro-3-quinoléinyl)[1-(2-phényléthyl)-1H-tétrazol-5-yl]méthyl}-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[(6-ethyl-1,2-dihydro-2-oxo-3-quinolinyl)[1-(2-phenylethyl)-1H-tetrazol-5-yl]methyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{(6-ethyl-2-oxo-1,2-dihydro-3-quinolinyl)[1-(2-phenylethyl)-1H-tetrazol-5-yl]methyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{(6-ethyl-2-oxo-1,2-dihydro-3-chinolinyl)[1-(2-phenylethyl)-1H-tetrazol-5-yl]methyl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]

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

ASN 05213988 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 734.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 398.1±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 146.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 915.29
ACD/KOC (pH 5.5): 4472.70
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 998.61
ACD/KOC (pH 7.4): 4879.85
Polar Surface Area: 102 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 395.9±7.0 cm3

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