N-{5-[1-cyano-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}benzamide
Chemical Structure Depiction of
N-{5-[1-cyano-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}benzamide
N-{5-[1-cyano-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}benzamide
Compound characteristics
| Compound ID: | 3388-0952 |
| Compound Name: | N-{5-[1-cyano-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}benzamide |
| Molecular Weight: | 378.41 |
| Molecular Formula: | C19 H14 N4 O3 S |
| Smiles: | COc1cc(\C=C(/C#N)c2nnc(NC(c3ccccc3)=O)s2)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 3.2394 |
| logD: | 1.4744 |
| logSw: | -3.5306 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.838 |
| InChI Key: | WXDWFWUSKCSACY-UHFFFAOYSA-N |