[(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate


Chemical Name: [(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CAS Number: 180272-28-0
Product Number: AG0021UE(AGN-PC-05J46P)
Synonyms:
MDL No:
Molecular Formula: C23H26N2O3
Molecular Weight: 378.4641

Identification/Properties


Computed Properties
Molecular Weight:
378.472g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
378.194g/mol
Monoisotopic Mass:
378.194g/mol
Topological Polar Surface Area:
47.6A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
568
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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