methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;hydrochloride


Chemical Name: methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;hydrochloride
CAS Number: 90055-48-4
Product Number: AG00H8TU(AGN-PC-03OKFJ)
Synonyms:
MDL No: MFCD09037335
Molecular Formula: C16H16ClNO2S
Molecular Weight: 321.8217

Identification/Properties


Computed Properties
Molecular Weight:
321.819g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
321.059g/mol
Monoisotopic Mass:
321.059g/mol
Topological Polar Surface Area:
57.8A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
381
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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