2-cyano-3-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-1931 |
| Compound Name: | 2-cyano-3-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C25 H25 N5 O4 S |
| Smiles: | Cc1ccc(COc2ccc(/C=C(/C#N)C(Nc3nnc(N4CCOCC4)s3)=O)cc2OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.23 |
| logD: | 4.08 |
| logSw: | -5.11 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 176.44 |
| InChI Key: | NVUVKKSLJKCEBN-UHFFFAOYSA-N |