3-{3-chloro-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{3-chloro-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{3-chloro-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-0078 |
| Compound Name: | 3-{3-chloro-5-methoxy-4-[2-(2-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: | Cc1ccccc1OCCOc1c(cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc1[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 5.95 |
| logD: | 5.28 |
| logSw: | -7.08 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 190 |
| InChI Key: | IVAYKWXPNGPJMQ-UHFFFAOYSA-N |