2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-{4-[(4-nitrobenzyl)oxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-{4-[(4-nitrobenzyl)oxy]phenyl}acrylamide
2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-{4-[(4-nitrobenzyl)oxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | C482-0852 |
| Compound Name: | 2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-{4-[(4-nitrobenzyl)oxy]phenyl}acrylamide |
| Molecular Weight: | 404.38 |
| Molecular Formula: | C21 H16 N4 O5 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(cc2)OCc2ccc(cc2)[N+]([O-])=O)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.43 |
| logD: | 2.91 |
| logSw: | -5.5 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 242.54 |
| InChI Key: | JNSLFWVGWXOKPJ-UHFFFAOYSA-N |