3-[4-(benzyloxy)-3-ethoxyphenyl]-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)-3-ethoxyphenyl]-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
3-[4-(benzyloxy)-3-ethoxyphenyl]-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-0971 |
| Compound Name: | 3-[4-(benzyloxy)-3-ethoxyphenyl]-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 489.6 |
| Molecular Formula: | C26 H27 N5 O3 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(N3CCCCC3)s2)=O)ccc1OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.11 |
| logD: | 4.96 |
| logSw: | -5.81 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 151.28 |
| InChI Key: | NTDREFQZZJAUKN-UHFFFAOYSA-N |