3-{3-chloro-5-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{3-chloro-5-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{3-chloro-5-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0114 |
| Compound Name: | 3-{3-chloro-5-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 536.99 |
| Molecular Formula: | C22 H18 Cl F N4 O5 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)cc(c1OCc1ccccc1F)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.52 |
| logD: | 2.17 |
| logSw: | -5.24 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 214.23 |
| InChI Key: | BAFONEGKXMOTJY-UHFFFAOYSA-N |