ChemSpider 2D Image | 1-(2-{(3S)-3-(3,4-Dichlorophenyl)-1-[(3-isopropoxyphenyl)acetyl]-3-piperidinyl}ethyl)-4-phenyl-1-azoniabicyclo[2.2.2]octane | C37H45Cl2N2O2

1-(2-{(3S)-3-(3,4-Dichlorophenyl)-1-[(3-isopropoxyphenyl)acetyl]-3-piperidinyl}ethyl)-4-phenyl-1-azoniabicyclo[2.2.2]octane

  • Molecular FormulaC37H45Cl2N2O2
  • Average mass620.671 Da
  • Monoisotopic mass619.285278 Da
  • ChemSpider ID97249

  • Charge - Charge

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

1-(2-{(3S)-3-(3,4-Dichlorophenyl)-1-[(3-isopropoxyphenyl)acetyl]-3-piperidinyl}ethyl)-4-phenyl-1-azoniabicyclo[2.2.2]octane [ACD/IUPAC Name]
1-(2-{(3S)-3-(3,4-Dichlorophényl)-1-[2-(3-isopropoxyphényl)acétyl]-3-pipéridinyl}éthyl)-4-phényl-1-azoniabicyclo[2.2.2]octane [French] [ACD/IUPAC Name]
1-(2-{(3S)-3-(3,4-Dichlorphenyl)-1-[(3-isopropoxyphenyl)acetyl]-3-piperidinyl}ethyl)-4-phenyl-1-azoniabicyclo[2.2.2]octan [German] [ACD/IUPAC Name]
1-[2-[(3S)-3-(3,4-Dichlorophenyl)-1-[2-[3-(1-methylethoxy)phenyl]acetyl]-3-piperidinyl]ethyl]-4-phenyl-1-azoniabicyclo[2.2.2]octane
155418-05-6 [RN]
1-Azoniabicyclo[2.2.2]octane, 1-[2-[(3S)-3-(3,4-dichlorophenyl)-1-[2-[3-(1-methylethoxy)phenyl]acetyl]-3-piperidinyl]ethyl]-4-phenyl- [ACD/Index Name]
1-[(3S)-3-(3,4-dichlorophenyl)-3-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone
1-[(3S)-3-(3,4-dichlorophenyl)-3-[2-(4-phenyl-1-quinuclidin-1-iumyl)ethyl]-1-piperidinyl]-2-(3-isopropoxyphenyl)ethanone
1-[(3S)-3-(3,4-dichlorophenyl)-3-[2-(4-phenylquinuclidin-1-ium-1-yl)ethyl]-1-piperidyl]-2-(3-isopropoxyphenyl)ethanone
CHEMBL38763
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

SR 140333 [DBID]

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: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 157.98
ACD/KOC (pH 5.5): 1304.27
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 157.98
ACD/KOC (pH 7.4): 1304.27
Polar Surface Area: 30 Å2
Polarizability:
Surface Tension:
Molar Volume:

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