2-cyano-3-[1-(4-methylbenzyl)-1H-pyrrol-2-yl]-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(4-methylbenzyl)-1H-pyrrol-2-yl]-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[1-(4-methylbenzyl)-1H-pyrrol-2-yl]-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-1573 |
| Compound Name: | 2-cyano-3-[1-(4-methylbenzyl)-1H-pyrrol-2-yl]-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 432.55 |
| Molecular Formula: | C23 H24 N6 O S |
| Smiles: | Cc1ccc(Cn2cccc2/C=C(/C#N)C(Nc2nnc(N3CCCCC3)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.96 |
| logD: | 4.93 |
| logSw: | -5.65 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 138.98 |
| InChI Key: | ZTRAPGQBSDOBIS-UHFFFAOYSA-N |