HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-[[2-[3-Cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]benzamide
4-[({[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetyl)amino]benzamide
![4-[[2-[3-Cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]benzamide molecular structure](/img/chemical/178819875.png)
Identifiers & Physical Properties
| CAS No. | 625375-24-8 |
|---|---|
| Molecular formula | C17H13F3N4O2S |
| Average molar mass | 394.4 g/mol |
| SMILES | Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccc(C(N)=O)cc2)c1C#N |
| InChIKey | QUQAFWKSAMZQGN-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 134 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 5 |
| Heavy atoms | 27 |
| Formal charge | 0 |
| Complexity | 599 |