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85002-17-1 | 2,4-Thiazolidinedione, 5-[(4-phenoxyphenyl)methyl]-
CAS No: 85002-17-1 Catalog No: AG0050PK MDL No:
Product Description
Catalog Number:
AG0050PK
Chemical Name:
2,4-Thiazolidinedione, 5-[(4-phenoxyphenyl)methyl]-
CAS Number:
85002-17-1
Molecular Formula:
C16H13NO3S
Molecular Weight:
299.3443
IUPAC Name:
5-[(4-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C16H13NO3S/c18-15-14(21-16(19)17-15)10-11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-9,14H,10H2,(H,17,18,19)
InChI Key:
HVQBTDHBNQXHKK-UHFFFAOYSA-N
SMILES:
O=C1SC(C(=O)N1)Cc1ccc(cc1)Oc1ccccc1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.344g/mol
Monoisotopic Mass:
299.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Discovery of 5-aryloxy-2,4-thiazolidinediones as potent GPR40 agonists. | Bioorganic & medicinal chemistry letters 20100201 |
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