2-cyano-3-{3-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-{3-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C354-0656 |
| Compound Name: | 2-cyano-3-{3-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 497.55 |
| Molecular Formula: | C22 H19 N5 O5 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)ccc1OCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.73 |
| logD: | 4.05 |
| logSw: | -5.6 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 268.13 |
| InChI Key: | HUZJKVLRWDAUKJ-UHFFFAOYSA-N |