3-[4-(benzyloxy)-3-ethoxyphenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)-3-ethoxyphenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-[4-(benzyloxy)-3-ethoxyphenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0173 |
| Compound Name: | 3-[4-(benzyloxy)-3-ethoxyphenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 403.44 |
| Molecular Formula: | C23 H21 N3 O4 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)ccc1OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.38 |
| logD: | 2.86 |
| logSw: | -5.11 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 158.17 |
| InChI Key: | IQFMKYDXXUNYOR-UHFFFAOYSA-N |