3-[4-(benzyloxy)-3-ethoxyphenyl]-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)-3-ethoxyphenyl]-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
3-[4-(benzyloxy)-3-ethoxyphenyl]-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-1786 |
| Compound Name: | 3-[4-(benzyloxy)-3-ethoxyphenyl]-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C25 H25 N5 O4 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(N3CCOCC3)s2)=O)ccc1OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.96 |
| logD: | 3.8 |
| logSw: | -4.7 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 168.27 |
| InChI Key: | LIRMOERVXCUJOP-UHFFFAOYSA-N |