2-cyano-2-{5-hydroxy-7-[3-(trifluoromethyl)phenyl]-2H-1,3-benzoxathiol-2-ylidene}acetamide
Chemical Structure Depiction of
2-cyano-2-{5-hydroxy-7-[3-(trifluoromethyl)phenyl]-2H-1,3-benzoxathiol-2-ylidene}acetamide
2-cyano-2-{5-hydroxy-7-[3-(trifluoromethyl)phenyl]-2H-1,3-benzoxathiol-2-ylidene}acetamide
Compound characteristics
| Compound ID: | 5786-2388 |
| Compound Name: | 2-cyano-2-{5-hydroxy-7-[3-(trifluoromethyl)phenyl]-2H-1,3-benzoxathiol-2-ylidene}acetamide |
| Molecular Weight: | 378.33 |
| Molecular Formula: | C17 H9 F3 N2 O3 S |
| Smiles: | C(\C(=C1/Oc2c(cc(cc2S1)O)c1cccc(c1)C(F)(F)F)C(N)=O)#N |
| Stereo: | ACHIRAL |
| logP: | 3.4375 |
| logD: | 3.4371 |
| logSw: | -3.9906 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.262 |
| InChI Key: | XFGPKOXPBJOONA-UHFFFAOYSA-N |