2-cyano-3-{3-methoxy-4-[(2-nitrobenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-methoxy-4-[(2-nitrobenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
2-cyano-3-{3-methoxy-4-[(2-nitrobenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0853 |
| Compound Name: | 2-cyano-3-{3-methoxy-4-[(2-nitrobenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 434.41 |
| Molecular Formula: | C22 H18 N4 O6 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(c(c2)OC)OCc2ccccc2[N+]([O-])=O)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.13 |
| logD: | 2.61 |
| logSw: | -5.4 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 241.21 |
| InChI Key: | LMKQXBGESNGUSC-UHFFFAOYSA-N |