ChemSpider 2D Image | (3R)-1-[2-(4-Fluorophenyl)ethyl]-3-{[(2S)-2-phenyl-2-(1-piperidinyl)propanoyl]oxy}-1-azoniabicyclo[2.2.2]octane | C29H38FN2O2

(3R)-1-[2-(4-Fluorophenyl)ethyl]-3-{[(2S)-2-phenyl-2-(1-piperidinyl)propanoyl]oxy}-1-azoniabicyclo[2.2.2]octane

  • Molecular FormulaC29H38FN2O2
  • Average mass465.622 Da
  • Monoisotopic mass465.291168 Da
  • ChemSpider ID28481905

  • Charge - Charge

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(3R)-1-[2-(4-Fluorophenyl)ethyl]-3-{[(2S)-2-phenyl-2-(1-piperidinyl)propanoyl]oxy}-1-azoniabicyclo[2.2.2]octane [ACD/IUPAC Name]
(3R)-1-[2-(4-Fluorophényl)éthyl]-3-{[(2S)-2-phényl-2-(1-pipéridinyl)propanoyl]oxy}-1-azoniabicyclo[2.2.2]octane [French] [ACD/IUPAC Name]
(3R)-1-[2-(4-Fluorphenyl)ethyl]-3-{[(2S)-2-phenyl-2-(1-piperidinyl)propanoyl]oxy}-1-azoniabicyclo[2.2.2]octan [German] [ACD/IUPAC Name]
1-Azoniabicyclo[2.2.2]octane, 1-[2-(4-fluorophenyl)ethyl]-3-[(2S)-1-oxo-2-phenyl-2-(1-piperidinyl)propoxy]-, (3R)- [ACD/Index Name]
1034978-04-5 [RN]
AZD-9164
UNII:977LWC4O5D

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: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 1.86
ACD/KOC (pH 5.5): 42.15
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.46
ACD/KOC (pH 7.4): 100.85
Polar Surface Area: 30 Å2
Polarizability:
Surface Tension:
Molar Volume:

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