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178688-44-3 | Thieno[3,2-c]pyridine-5(4H)-acetic acid, 2-(acetyloxy)-α-(2-chlorophenyl)-6,7-dihydro-, methyl ester
CAS No: 178688-44-3 Catalog No: AG002682 MDL No:
Product Description
Catalog Number:
AG002682
Chemical Name:
Thieno[3,2-c]pyridine-5(4H)-acetic acid, 2-(acetyloxy)-α-(2-chlorophenyl)-6,7-dihydro-, methyl ester
CAS Number:
178688-44-3
Molecular Formula:
C18H18ClNO4S
Molecular Weight:
379.8578
IUPAC Name:
methyl 2-(2-acetyloxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-chlorophenyl)acetate
InChI:
InChI=1S/C18H18ClNO4S/c1-11(21)24-16-9-12-10-20(8-7-15(12)25-16)17(18(22)23-2)13-5-3-4-6-14(13)19/h3-6,9,17H,7-8,10H2,1-2H3
InChI Key:
GNHHCBSBCDGWND-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccccc1Cl)N1CCc2c(C1)cc(s2)OC(=O)C
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.065g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.855g/mol
Monoisotopic Mass:
379.065g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Overcoming clopidogrel resistance: discovery of vicagrel as a highly potent and orally bioavailable antiplatelet agent. | Journal of medicinal chemistry 20120412 |
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