3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-2013 |
| Compound Name: | 3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 463.35 |
| Molecular Formula: | C18 H19 Br N6 O2 S |
| Smiles: | CN(C)c1ccc(/C=C(/C#N)C(Nc2nnc(N3CCOCC3)s2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.37 |
| logD: | 3.21 |
| logSw: | -4.27 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 153.34 |
| InChI Key: | WCUFMHCLHMNGMV-UHFFFAOYSA-N |