3-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
3-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-1574 |
| Compound Name: | 3-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 497.02 |
| Molecular Formula: | C24 H25 Cl N6 O2 S |
| Smiles: | Cc1cc(ccc1[Cl])OCCn1cccc1/C=C(/C#N)C(Nc1nnc(N2CCCCC2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.03 |
| logD: | 5.99 |
| logSw: | -6.82 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 145.18 |
| InChI Key: | WBDNIRSZKHKHKH-UHFFFAOYSA-N |