2-cyano-3-{3-methoxy-4-[(2-methylbenzyl)oxy]phenyl}-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-methoxy-4-[(2-methylbenzyl)oxy]phenyl}-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{3-methoxy-4-[(2-methylbenzyl)oxy]phenyl}-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-1114 |
| Compound Name: | 2-cyano-3-{3-methoxy-4-[(2-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: | Cc1ccccc1COc1ccc(/C=C(/C#N)C(Nc2nnc(N3CCCCC3)s2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.55 |
| logD: | 5.39 |
| logSw: | -6.45 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 159.43 |
| InChI Key: | NMTBBPLDODATIS-UHFFFAOYSA-N |