2-cyano-3-{3-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-{3-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0112 |
| Compound Name: | 2-cyano-3-{3-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 502.54 |
| Molecular Formula: | C22 H19 F N4 O5 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)ccc1OCc1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 3.21 |
| logD: | 0.85 |
| logSw: | -4.27 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 213.12 |
| InChI Key: | IXMXOCOHOBERJI-UHFFFAOYSA-N |