2-cyano-3-{3-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
2-cyano-3-{3-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0856 |
| Compound Name: | 2-cyano-3-{3-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 448.43 |
| Molecular Formula: | C23 H20 N4 O6 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)ccc1OCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3 |
| logD: | 2.78 |
| logSw: | -5.15 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 245.96 |
| InChI Key: | DVTAXCMIVCBIJN-UHFFFAOYSA-N |