2-ethoxy-4-[2-[[(1S)-1-[2-[(3R)-3-hydroxypiperidin-1-yl]phenyl]-3-methylbutyl]amino]-2-oxoethyl]benzoic acid


Chemical Name: 2-ethoxy-4-[2-[[(1S)-1-[2-[(3R)-3-hydroxypiperidin-1-yl]phenyl]-3-methylbutyl]amino]-2-oxoethyl]benzoic acid
CAS Number: 874908-14-2
Product Number: AG008C84(AGN-PC-05J3IH)
Synonyms:
MDL No:
Molecular Formula: C27H36N2O5
Molecular Weight: 468.5851

Identification/Properties


Computed Properties
Molecular Weight:
468.594g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
10
Exact Mass:
468.262g/mol
Monoisotopic Mass:
468.262g/mol
Topological Polar Surface Area:
99.1A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
657
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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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