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 propanoate | C23H34N6O4

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

  • Molecular FormulaC23H34N6O4
  • Average mass458.554 Da
  • Monoisotopic mass458.264160 Da
  • ChemSpider ID23241336

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 propanoate
{1-[2-(4-Ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-[phenyl(propionyl)amino]-4-piperidinyl}methyl propionate [ACD/IUPAC Name]
{1-[2-(4-Ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-[phenyl(propionyl)amino]-4-piperidinyl}methylpropionat [German] [ACD/IUPAC Name]
Propanamide, N-[1-[2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl]-4-[(1-oxopropoxy)methyl]-4-piperidinyl]-N-phenyl- [ACD/Index Name]
Propionate de {1-[2-(4-éthyl-5-oxo-4,5-dihydro-1H-tétrazol-1-yl)éthyl]-4-[phényl(propionyl)amino]-4-pipéridinyl}méthyle [French] [ACD/IUPAC Name]
Propionic acid 1-[2-(4-ethyl-5-oxo-4,5-dihydro-tetrazol-1-yl)-ethyl]-4-(phenyl-propionyl-amino)-piperidin-4-ylmethyl 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: 549.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 286.0±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 126.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.90
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 29.23
ACD/KOC (pH 7.4): 337.49
Polar Surface Area: 98 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 370.6±7.0 cm3

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