3-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0005 |
| Compound Name: | 3-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 535 |
| Molecular Formula: | C22 H19 Cl N4 O6 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)cc(c1OCCOc1ccccc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.97 |
| logD: | 1.62 |
| logSw: | -4.98 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 236.73 |
| InChI Key: | VJVIDZORVIEUIB-UHFFFAOYSA-N |