2-cyano-3-[3,5-dimethoxy-4-(2-phenoxyethoxy)phenyl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[3,5-dimethoxy-4-(2-phenoxyethoxy)phenyl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-[3,5-dimethoxy-4-(2-phenoxyethoxy)phenyl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C277-4681 |
| Compound Name: | 2-cyano-3-[3,5-dimethoxy-4-(2-phenoxyethoxy)phenyl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C23 H22 N4 O5 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc(c1OCCOc1ccccc1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.59 |
| logD: | 3.92 |
| logSw: | -5.23 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 211.27 |
| InChI Key: | LLCIYMAPIXSPEQ-UHFFFAOYSA-N |