3-[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
3-[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-1569 |
| Compound Name: | 3-[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 452.96 |
| Molecular Formula: | C22 H21 Cl N6 O S |
| Smiles: | C1CCN(CC1)c1nnc(NC(C(=C/c2cccn2Cc2ccccc2[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.19 |
| logD: | 5.16 |
| logSw: | -6.07 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 136.98 |
| InChI Key: | AYMTVOQJCPQZEH-UHFFFAOYSA-N |