3-(3-chloro-4,5-diethoxyphenyl)-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-(3-chloro-4,5-diethoxyphenyl)-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-(3-chloro-4,5-diethoxyphenyl)-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-1012 |
| Compound Name: | 3-(3-chloro-4,5-diethoxyphenyl)-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 375.81 |
| Molecular Formula: | C18 H18 Cl N3 O4 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)cc(c1OCC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.45 |
| logD: | 2.93 |
| logSw: | -5.24 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 156.23 |
| InChI Key: | CVSXUVZGKLXPMX-UHFFFAOYSA-N |