2-cyano-3-{3-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{3-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-1115 |
| Compound Name: | 2-cyano-3-{3-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 489.6 |
| Molecular Formula: | C26 H27 N5 O3 S |
| Smiles: | Cc1cccc(COc2ccc(/C=C(/C#N)C(Nc3nnc(N4CCCCC4)s3)=O)cc2OC)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.66 |
| logD: | 5.51 |
| logSw: | -6.37 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 153.52 |
| InChI Key: | GJUBWEPEQJXWRA-UHFFFAOYSA-N |