3-{3-chloro-4-[(4-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[(4-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{3-chloro-4-[(4-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0411 |
| Compound Name: | 3-{3-chloro-4-[(4-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 488.97 |
| Molecular Formula: | C21 H17 Cl N4 O4 S2 |
| Smiles: | Cc1ccc(COc2ccc(/C=C(/C#N)C(Nc3nnc(s3)S(C)(=O)=O)=O)cc2[Cl])cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.35 |
| logD: | 2 |
| logSw: | -5.23 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 208.63 |
| InChI Key: | KSMDRPQRCINSSB-UHFFFAOYSA-N |