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Home Halogens (3E)-4-(Acetylthio)-α-(2-chlorophenyl)-3-(2-ethoxy-2-oxoethylidene)-1-piperidineacetic Acid Methyl Ester (Mixture of DiastereoMers)

(3E)-4-(Acetylthio)-α-(2-chlorophenyl)-3-(2-ethoxy-2-oxoethylidene)-1-piperidineacetic Acid Methyl Ester (Mixture of DiastereoMers)

CAS No.:
204204-75-1
Catalog Number:
AG00C29Y
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C29Y
Chemical Name:
(3E)-4-(Acetylthio)-α-(2-chlorophenyl)-3-(2-ethoxy-2-oxoethylidene)-1-piperidineacetic Acid Methyl Ester (Mixture of DiastereoMers)
CAS Number:
204204-75-1
MDL Number:
MFCD28143283
IUPAC Name:
methyl 2-[(3E)-4-acetylsulfanyl-3-(2-ethoxy-2-oxoethylidene)piperidin-1-yl]-2-(2-chlorophenyl)acetate
InChI:
InChI=1S/C20H24ClNO5S/c1-4-27-18(24)11-14-12-22(10-9-17(14)28-13(2)23)19(20(25)26-3)15-7-5-6-8-16(15)21/h5-8,11,17,19H,4,9-10,12H2,1-3H3/b14-11+
InChI Key:
ANXXRJDFMOQMLB-SDNWHVSQSA-N
Properties
Complexity:
611  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
425.106g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
425.924g/mol
Monoisotopic Mass:
425.106g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties