3-{4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-0395 |
| Compound Name: | 3-{4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 517.02 |
| Molecular Formula: | C23 H21 Cl N4 O4 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)ccc1OCCOc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.12 |
| logD: | 4.44 |
| logSw: | -6.01 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 190.3 |
| InChI Key: | DNTWVYOYWPZQFB-UHFFFAOYSA-N |