2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-{4-[(2-nitrobenzyl)oxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-{4-[(2-nitrobenzyl)oxy]phenyl}acrylamide
2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-{4-[(2-nitrobenzyl)oxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | C482-0851 |
| Compound Name: | 2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-{4-[(2-nitrobenzyl)oxy]phenyl}acrylamide |
| Molecular Weight: | 404.38 |
| Molecular Formula: | C21 H16 N4 O5 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(cc2)OCc2ccccc2[N+]([O-])=O)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.4 |
| logD: | 2.88 |
| logSw: | -5.48 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 230.01 |
| InChI Key: | NDIWCFRWSZDPIC-UHFFFAOYSA-N |