3-{3-chloro-4-[(2-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[(2-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-chloro-4-[(2-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-2238 |
| Compound Name: | 3-{3-chloro-4-[(2-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 495.99 |
| Molecular Formula: | C24 H22 Cl N5 O3 S |
| Smiles: | Cc1ccccc1COc1ccc(/C=C(/C#N)C(Nc2nnc(N3CCOCC3)s2)=O)cc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.21 |
| logD: | 5.05 |
| logSw: | -5.95 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 156.42 |
| InChI Key: | JDIGXSBQUBEZOI-UHFFFAOYSA-N |