N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}acrylamide
Chemical Structure Depiction of
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}acrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | 4272-0274 |
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}acrylamide |
| Molecular Weight: | 514.58 |
| Molecular Formula: | C28 H23 F N4 O3 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(Cc3ccccc3)s2)=O)ccc1OCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 5.58 |
| logD: | 4.27 |
| logSw: | -6.38 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 145.92 |
| InChI Key: | MBWCXURIFCRDBV-UHFFFAOYSA-N |