2-cyano-3-{3-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}-N~1~-(4-phenyl-1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}-N~1~-(4-phenyl-1,3-thiazol-2-yl)acrylamide
2-cyano-3-{3-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}-N~1~-(4-phenyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4384-0498 |
| Compound Name: | 2-cyano-3-{3-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}-N~1~-(4-phenyl-1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 526.57 |
| Molecular Formula: | C28 H22 N4 O5 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nc(cs2)c2ccccc2)=O)ccc1OCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.27 |
| logD: | 6.26 |
| logSw: | -7.02 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 195.67 |
| InChI Key: | JWOUCUZIWXNDHJ-UHFFFAOYSA-N |