2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0002 |
| Compound Name: | 2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 500.55 |
| Molecular Formula: | C22 H20 N4 O6 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)ccc1OCCOc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.94 |
| logD: | 0.59 |
| logSw: | -4.05 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 235.94 |
| InChI Key: | VGBOHAIKGVZBHW-UHFFFAOYSA-N |