2-cyano-3-{3-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{3-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0586 |
| Compound Name: | 2-cyano-3-{3-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 516.57 |
| Molecular Formula: | C23 H21 F N4 O5 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(CC)(=O)=O)=O)ccc1OCc1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 3.98 |
| logD: | 1.63 |
| logSw: | -4.95 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 212.18 |
| InChI Key: | QMFXGMSCGPZPSY-UHFFFAOYSA-N |