2-cyano-3-(4-isobutoxy-3-methoxyphenyl)-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
2-cyano-3-(4-isobutoxy-3-methoxyphenyl)-N~1~-(5-methyl-3-isoxazolyl)acrylamide
2-cyano-3-(4-isobutoxy-3-methoxyphenyl)-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0998 |
| Compound Name: | 2-cyano-3-(4-isobutoxy-3-methoxyphenyl)-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C19 H21 N3 O4 |
| Smiles: | CC(C)COc1ccc(/C=C(/C#N)C(Nc2cc(C)on2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.22 |
| logD: | 2.7 |
| logSw: | -5.13 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 164.24 |
| InChI Key: | ZIZSQTPZTMRAGI-UHFFFAOYSA-N |