2-cyano-3-{3-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
2-cyano-3-{3-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0342 |
| Compound Name: | 2-cyano-3-{3-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 417.46 |
| Molecular Formula: | C24 H23 N3 O4 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)ccc1OCc1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.07 |
| logD: | 3.55 |
| logSw: | -5.87 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 152.64 |
| InChI Key: | JKRQTLUZGPGNBG-UHFFFAOYSA-N |