3-(3-chloro-4-methoxyphenyl)-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-(3-chloro-4-methoxyphenyl)-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-(3-chloro-4-methoxyphenyl)-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-1061 |
| Compound Name: | 3-(3-chloro-4-methoxyphenyl)-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 317.73 |
| Molecular Formula: | C15 H12 Cl N3 O3 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(c(c2)[Cl])OC)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.53 |
| logD: | 2.01 |
| logSw: | -4.21 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 153.11 |
| InChI Key: | GILNDKAEMVKPAG-UHFFFAOYSA-N |