2-cyano-3-{3-ethoxy-4-[2-(phenylsulfanyl)ethoxy]phenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-ethoxy-4-[2-(phenylsulfanyl)ethoxy]phenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-{3-ethoxy-4-[2-(phenylsulfanyl)ethoxy]phenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0250 |
| Compound Name: | 2-cyano-3-{3-ethoxy-4-[2-(phenylsulfanyl)ethoxy]phenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 530.64 |
| Molecular Formula: | C23 H22 N4 O5 S3 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)ccc1OCCSc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.42 |
| logD: | 1.07 |
| logSw: | -4.22 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 240.89 |
| InChI Key: | MDMKYPGMGVFLJC-UHFFFAOYSA-N |