2-cyano-3-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-1178 |
| Compound Name: | 2-cyano-3-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 530.6 |
| Molecular Formula: | C24 H23 F N4 O5 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nc(ns2)S(C(C)C)(=O)=O)=O)ccc1OCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.26 |
| logD: | 1.91 |
| logSw: | -5.01 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 204.45 |
| InChI Key: | YHYGQNHEFQPWSG-UHFFFAOYSA-N |