2-cyano-3-(3-ethoxy-4-isobutoxyphenyl)-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
2-cyano-3-(3-ethoxy-4-isobutoxyphenyl)-N~1~-(5-methyl-3-isoxazolyl)acrylamide
2-cyano-3-(3-ethoxy-4-isobutoxyphenyl)-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-1002 |
| Compound Name: | 2-cyano-3-(3-ethoxy-4-isobutoxyphenyl)-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 369.42 |
| Molecular Formula: | C20 H23 N3 O4 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)ccc1OCC(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.37 |
| logD: | 2.85 |
| logSw: | -5.08 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 156.47 |
| InChI Key: | IGXBLDZURNPEPZ-UHFFFAOYSA-N |