3-[4-(allyloxy)-3-methoxyphenyl]-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[4-(allyloxy)-3-methoxyphenyl]-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
3-[4-(allyloxy)-3-methoxyphenyl]-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-1206 |
| Compound Name: | 3-[4-(allyloxy)-3-methoxyphenyl]-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C21 H23 N5 O3 S |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(N3CCCCC3)s2)=O)ccc1OCC=C |
| Stereo: | ACHIRAL |
| logP: | 4.21 |
| logD: | 4.06 |
| logSw: | -5.2 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 160.19 |
| InChI Key: | KYDQQUBRLWADAA-UHFFFAOYSA-N |