3-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-methoxyphenyl)-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-methoxyphenyl)-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-methoxyphenyl)-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0080 |
| Compound Name: | 3-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-methoxyphenyl)-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 469.95 |
| Molecular Formula: | C23 H20 Cl N3 O4 S |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(c(c2)OC)OCCSc2ccc(cc2)[Cl])\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.3 |
| logD: | 3.78 |
| logSw: | -6.22 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 198.24 |
| InChI Key: | GRNLAMDVLJUODB-UHFFFAOYSA-N |