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213411-83-7 | 5-((4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzo[b]thiophen-7-yl)methyl)thiazolidine-2,4-dione
CAS No: 213411-83-7 Catalog No: AG0072OM MDL No:
Product Description
Catalog Number:
AG0072OM
Chemical Name:
5-((4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzo[b]thiophen-7-yl)methyl)thiazolidine-2,4-dione
CAS Number:
213411-83-7
Molecular Formula:
C24H20N2O4S2
Molecular Weight:
464.5566
IUPAC Name:
5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C24H20N2O4S2/c1-14-18(25-23(30-14)15-5-3-2-4-6-15)9-11-29-19-8-7-16(21-17(19)10-12-31-21)13-20-22(27)26-24(28)32-20/h2-8,10,12,20H,9,11,13H2,1H3,(H,26,27,28)
InChI Key:
HAAXAFNSRADSMK-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(S1)Cc1ccc(c2c1scc2)OCCc1nc(oc1C)c1ccccc1
Properties
Complexity:
689
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.086g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
464.554g/mol
Monoisotopic Mass:
464.086g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Literature
| Title | Journal |
|---|---|
| Comparative molecular profiling of the PPARα/γ activator aleglitazar: PPAR selectivity, activity and interaction with cofactors. | ChemMedChem 20120601 |
| Chronic and acute effects of thiazolidinediones BM13.1258 and BM15.2054 on rat skeletal muscle glucose metabolism. | British journal of pharmacology 19991101 |
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