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144457-43-2 | Thieno[2,3-c]pyridine-6(5H)-acetic acid, α-(2-chlorophenyl)-4,7-dihydro-, methyl ester
CAS No: 144457-43-2 Catalog No: AG001JK9 MDL No:MFCD12963847
Product Description
Catalog Number:
AG001JK9
Chemical Name:
Thieno[2,3-c]pyridine-6(5H)-acetic acid, α-(2-chlorophenyl)-4,7-dihydro-, methyl ester
CAS Number:
144457-43-2
Molecular Formula:
C16H16ClNO2S
Molecular Weight:
321.8217
MDL Number:
MFCD12963847
IUPAC Name:
methyl 2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetate
InChI:
InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-11-7-9-21-14(11)10-18/h2-5,7,9,15H,6,8,10H2,1H3
InChI Key:
ZEIGZKQSYIWMTR-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccccc1Cl)N1CCc2c(C1)scc2
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.059g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.819g/mol
Monoisotopic Mass:
321.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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