3-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)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-phenoxyethoxy)phenyl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C277-4045 |
| Compound Name: | 3-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 503 |
| Molecular Formula: | C22 H19 Cl N4 O4 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc(c1OCCOc1ccccc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.51 |
| logD: | 4.84 |
| logSw: | -6.55 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 196.59 |
| InChI Key: | BQKUQDUFGWAICC-UHFFFAOYSA-N |