3-{3-chloro-5-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{3-chloro-5-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{3-chloro-5-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0198 |
| Compound Name: | 3-{3-chloro-5-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 519 |
| Molecular Formula: | C22 H19 Cl N4 O5 S2 |
| Smiles: | Cc1cccc(COc2c(cc(/C=C(/C#N)C(Nc3nnc(s3)S(C)(=O)=O)=O)cc2[Cl])OC)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.87 |
| logD: | 2.51 |
| logSw: | -5.95 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 210.17 |
| InChI Key: | JQFIKFSOUDXBKA-UHFFFAOYSA-N |