2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-1207 |
| Compound Name: | 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 376.45 |
| Molecular Formula: | C16 H16 N4 O3 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nc(ns2)SCC)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 3.62 |
| logD: | 2.94 |
| logSw: | -4.39 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 216.12 |
| InChI Key: | JOXLKHJLPIKSII-UHFFFAOYSA-N |