ChemSpider 2D Image | (3-exo)-8,8-Dimethyl-3-(4-{[(1-methyl-2-oxo-1,2-dihydro-4-quinolinyl)oxy]methyl}-1H-1,2,3-triazol-1-yl)-8-azoniabicyclo[3.2.1]octane | C22H28N5O2

(3-exo)-8,8-Dimethyl-3-(4-{[(1-methyl-2-oxo-1,2-dihydro-4-quinolinyl)oxy]methyl}-1H-1,2,3-triazol-1-yl)-8-azoniabicyclo[3.2.1]octane

  • Molecular FormulaC22H28N5O2
  • Average mass394.490 Da
  • Monoisotopic mass394.223755 Da
  • ChemSpider ID34974448

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3-exo)-8,8-Dimethyl-3-(4-{[(1-methyl-2-oxo-1,2-dihydro-4-chinolinyl)oxy]methyl}-1H-1,2,3-triazol-1-yl)-8-azoniabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
(3-exo)-8,8-Diméthyl-3-(4-{[(1-méthyl-2-oxo-1,2-dihydro-4-quinoléinyl)oxy]méthyl}-1H-1,2,3-triazol-1-yl)-8-azoniabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
(3-exo)-8,8-Dimethyl-3-(4-{[(1-methyl-2-oxo-1,2-dihydro-4-quinolinyl)oxy]methyl}-1H-1,2,3-triazol-1-yl)-8-azoniabicyclo[3.2.1]octane [ACD/IUPAC Name]
8-Azoniabicyclo[3.2.1]octane, 3-[4-[[(1,2-dihydro-1-methyl-2-oxo-4-quinolinyl)oxy]methyl]-1H-1,2,3-triazol-1-yl]-8,8-dimethyl-, (3-exo) [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -2.00
ACD/LogD (pH 5.5): -2.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.60
ACD/LogD (pH 7.4): -2.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.60
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

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