2-cyano-3-{4-[(3-methylbenzyl)oxy]phenyl}-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[(3-methylbenzyl)oxy]phenyl}-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{4-[(3-methylbenzyl)oxy]phenyl}-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-1924 |
| Compound Name: | 2-cyano-3-{4-[(3-methylbenzyl)oxy]phenyl}-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C24 H23 N5 O3 S |
| Smiles: | Cc1cccc(COc2ccc(/C=C(/C#N)C(Nc3nnc(N4CCOCC4)s3)=O)cc2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.78 |
| logD: | 4.63 |
| logSw: | -5.56 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 159.32 |
| InChI Key: | PVYWCLSNQNUMBO-UHFFFAOYSA-N |