ChemSpider 2D Image | {1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidin-4-yl}methyl methyl carbonate | C22H32N6O5

{1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidin-4-yl}methyl methyl carbonate

  • Molecular FormulaC22H32N6O5
  • Average mass460.527 Da
  • Monoisotopic mass460.243408 Da
  • ChemSpider ID23240157

More details:

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

{1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidin-4-yl}methyl methyl carbonate
{1-[2-(4-Ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-[phenyl(propionyl)amino]-4-piperidinyl}methyl methyl carbonate [ACD/IUPAC Name]
{1-[2-(4-Ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-[phenyl(propionyl)amino]-4-piperidinyl}methyl-methylcarbonat [German] [ACD/IUPAC Name]
Carbonate de {1-[2-(4-éthyl-5-oxo-4,5-dihydro-1H-tétrazol-1-yl)éthyl]-4-[phényl(propionyl)amino]-4-pipéridinyl}méthyle et de méthyle [French] [ACD/IUPAC Name]
Carbonic acid, [1-[2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl]-4-[(1-oxopropyl)phenylamino]-4-piperidinyl]methyl methyl ester [ACD/Index Name]
Carbonic acid 1-[2-(4-ethyl-5-oxo-4,5-dihydro-tetrazol-1-yl)-ethyl]-4-(phenyl-propionyl-amino)-piperidin-4-ylmethyl ester methyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 553.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.3±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 123.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.68
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 12.48
ACD/KOC (pH 7.4): 182.12
Polar Surface Area: 107 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 361.0±7.0 cm3

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