3-[4-(benzyloxy)-3-ethoxyphenyl]-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)-3-ethoxyphenyl]-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
3-[4-(benzyloxy)-3-ethoxyphenyl]-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0344 |
| Compound Name: | 3-[4-(benzyloxy)-3-ethoxyphenyl]-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(CC(C)C)s2)=O)ccc1OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.37 |
| logD: | 3.44 |
| logSw: | -6.07 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 148.04 |
| InChI Key: | PLQLZXQYIAMFHE-UHFFFAOYSA-N |