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Home > Pyridines > 303163-19-1
303163-19-1 | Benzamide, N-[4-[4-(3-methylphenyl)-2-[4-(methylsulfonyl)phenyl]-5-thiazolyl]-2-pyridinyl]-
CAS No: 303163-19-1 Catalog No: AG002ZQJ MDL No:
Product Description
Catalog Number:
AG002ZQJ
Chemical Name:
Benzamide, N-[4-[4-(3-methylphenyl)-2-[4-(methylsulfonyl)phenyl]-5-thiazolyl]-2-pyridinyl]-
CAS Number:
303163-19-1
Molecular Formula:
C29H23N3O3S2
Molecular Weight:
525.6412
IUPAC Name:
N-[4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl]benzamide
InChI:
InChI=1S/C29H23N3O3S2/c1-19-7-6-10-22(17-19)26-27(36-29(32-26)21-11-13-24(14-12-21)37(2,34)35)23-15-16-30-25(18-23)31-28(33)20-8-4-3-5-9-20/h3-18H,1-2H3,(H,30,31,33)
InChI Key:
SCIGNWNFAKREND-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1nc(sc1c1ccnc(c1)NC(=O)c1ccccc1)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
864
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
525.118g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
525.641g/mol
Monoisotopic Mass:
525.118g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Literature
| Title | Journal |
|---|---|
| Novel inhibitor of p38 MAP kinase as an anti-TNF-alpha drug: discovery of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridyl]benzamide (TAK-715) as a potent and orally active anti-rheumatoid arthritis agent. | Journal of medicinal chemistry 20050922 |
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