3-{3-chloro-5-ethoxy-4-[(2-nitrobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-5-ethoxy-4-[(2-nitrobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-{3-chloro-5-ethoxy-4-[(2-nitrobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0860 |
| Compound Name: | 3-{3-chloro-5-ethoxy-4-[(2-nitrobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 482.88 |
| Molecular Formula: | C23 H19 Cl N4 O6 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)cc(c1OCc1ccccc1[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.46 |
| logD: | 3.94 |
| logSw: | -6.42 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 225.05 |
| InChI Key: | HBXQZIQUGAKLPR-UHFFFAOYSA-N |