3-{3-bromo-5-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-{3-bromo-5-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-{3-bromo-5-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0863 |
| Compound Name: | 3-{3-bromo-5-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 527.33 |
| Molecular Formula: | C23 H19 Br N4 O6 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)cc(c1OCc1ccc(cc1)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.39 |
| logD: | 3.87 |
| logSw: | -6.29 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 237.42 |
| InChI Key: | LPBLJOCINOPZAJ-UHFFFAOYSA-N |