2-cyano-3-(3-ethoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3-ethoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(3-ethoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0034 |
| Compound Name: | 2-cyano-3-(3-ethoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 544.67 |
| Molecular Formula: | C24 H24 N4 O5 S3 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)ccc1OCCSc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.15 |
| logD: | 1.8 |
| logSw: | -4.8 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 253.7 |
| InChI Key: | SOEQLYLQBZAISN-UHFFFAOYSA-N |