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Home > Pyridines > 303162-85-8
303162-85-8 | Benzamide, N-[4-[4-(3-methylphenyl)-2-propyl-5-thiazolyl]-2-pyridinyl]-
CAS No: 303162-85-8 Catalog No: AG002ZPY MDL No:
Product Description
Catalog Number:
AG002ZPY
Chemical Name:
Benzamide, N-[4-[4-(3-methylphenyl)-2-propyl-5-thiazolyl]-2-pyridinyl]-
CAS Number:
303162-85-8
Molecular Formula:
C25H23N3OS
Molecular Weight:
413.5346
IUPAC Name:
N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]pyridin-2-yl]benzamide
InChI:
InChI=1S/C25H23N3OS/c1-3-8-22-28-23(19-12-7-9-17(2)15-19)24(30-22)20-13-14-26-21(16-20)27-25(29)18-10-5-4-6-11-18/h4-7,9-16H,3,8H2,1-2H3,(H,26,27,29)
InChI Key:
OFRAIZACHYVYMG-UHFFFAOYSA-N
SMILES:
CCCc1nc(c(s1)c1ccnc(c1)NC(=O)c1ccccc1)c1cccc(c1)C
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.156g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
413.539g/mol
Monoisotopic Mass:
413.156g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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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