1-Piperidineacetic acid,4-(acetylthio)-a-(2-chlorophenyl)-3-(2-ethoxy-2-oxoethylidene)-, methylester, (3E)-


Chemical Name: 1-Piperidineacetic acid,4-(acetylthio)-a-(2-chlorophenyl)-3-(2-ethoxy-2-oxoethylidene)-, methylester, (3E)-
CAS Number: 204204-75-1
Product Number: AG00C29Y(AGN-PC-0QUARX)
Synonyms:
MDL No:
Molecular Formula: C20H24ClNO5S
Molecular Weight: 425.92626

Identification/Properties


Computed Properties
Molecular Weight:
425.924g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
9
Exact Mass:
425.106g/mol
Monoisotopic Mass:
425.106g/mol
Topological Polar Surface Area:
98.2A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
611
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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