3-{3-chloro-4-[2-(2-methoxy-4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[2-(2-methoxy-4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{3-chloro-4-[2-(2-methoxy-4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-0968 |
| Compound Name: | 3-{3-chloro-4-[2-(2-methoxy-4-methylphenoxy)ethoxy]phenyl}-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: | Cc1ccc(c(c1)OC)OCCOc1ccc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.48 |
| logD: | 4.81 |
| logSw: | -6.32 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 188.96 |
| InChI Key: | AYHJLRYJRWAQIW-UHFFFAOYSA-N |