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872979-75-4 | 2,4-Thiazolidinedione, 5-([1,1'-biphenyl]-4-ylmethyl)-
CAS No: 872979-75-4 Catalog No: AG004P13 MDL No:
Product Description
Catalog Number:
AG004P13
Chemical Name:
2,4-Thiazolidinedione, 5-([1,1'-biphenyl]-4-ylmethyl)-
CAS Number:
872979-75-4
Molecular Formula:
C16H13NO2S
Molecular Weight:
283.3449
IUPAC Name:
5-[(4-phenylphenyl)methyl]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C16H13NO2S/c18-15-14(20-16(19)17-15)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,17,18,19)
InChI Key:
RLSYGQXSWGVQMH-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)SC1Cc1ccc(cc1)c1ccccc1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.345g/mol
Monoisotopic Mass:
283.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Discovery of 5-aryloxy-2,4-thiazolidinediones as potent GPR40 agonists. | Bioorganic & medicinal chemistry letters 20100201 |
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