2-cyano-3-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0189 |
| Compound Name: | 2-cyano-3-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C22 H20 N4 O5 S2 |
| Smiles: | Cc1ccc(COc2ccc(/C=C(/C#N)C(Nc3nnc(s3)S(C)(=O)=O)=O)cc2OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.54 |
| logD: | 1.18 |
| logSw: | -4.56 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 228.64 |
| InChI Key: | QQULVLUZIUZVGQ-UHFFFAOYSA-N |