3-[4-(benzyloxy)-3-methoxyphenyl]-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)-3-methoxyphenyl]-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
3-[4-(benzyloxy)-3-methoxyphenyl]-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-0970 |
| Compound Name: | 3-[4-(benzyloxy)-3-methoxyphenyl]-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C25 H25 N5 O3 S |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(N3CCCCC3)s2)=O)ccc1OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.97 |
| logD: | 4.81 |
| logSw: | -5.88 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 159.05 |
| InChI Key: | CTIOTKNMJRMJFP-UHFFFAOYSA-N |