2-cyano-3-{1-[2-(2,4-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{1-[2-(2,4-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{1-[2-(2,4-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-1577 |
| Compound Name: | 2-cyano-3-{1-[2-(2,4-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 476.6 |
| Molecular Formula: | C25 H28 N6 O2 S |
| Smiles: | Cc1ccc(c(C)c1)OCCn1cccc1/C=C(/C#N)C(Nc1nnc(N2CCCCC2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.81 |
| logD: | 5.78 |
| logSw: | -6.3 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 136.37 |
| InChI Key: | PDXSKNFTPYKYAJ-UHFFFAOYSA-N |