CBKinase1_005172
4-fluoro-N-[4-[4-methyl-5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide
Also Known As: CBKinase1_005172|CBKinase1_017572|BRD-K83179783-001-01-8|4-fluoro-N-(4-{4-methyl-5-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)benzamide|4-fluoro-N-[4-[4-methyl-5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide|2-(5-{4-[(4-fluorophenyl)carbonylamino]phenyl}-4-methyl(1,2,4-triazol-3-ylthio ))-N-[2-(trifluoromethyl)phenyl]acetamide|4-FLUORO-N-(4-{4-METHYL-5-[({[2-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}METHYL)SULFANYL]-1,2,4-TRIAZOL-3-YL}PHENYL)BENZAMIDE
| Molecular Formula | C25H19F4N5O2S |
|---|---|
| Molecular Weight | 529.11957 g/mol |
| LogP | 5.6231 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 529.11957 |
| Monoisotopic Mass | 529.11957 |
| Heavy Atoms | 37 |
| Complexity | 1420.5253 |
Chemical Identifiers
| CAS Number | 694516-75-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(F)(F)F)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F |
Product Overview
CBKinase1_005172 (CAS 694516-75-1), with molecular formula C25H19F4N5O2S and molecular weight 529.11957 g/mol. IUPAC: 4-fluoro-N-[4-[4-methyl-5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide.