3-[3-chloro-5-ethoxy-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[3-chloro-5-ethoxy-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
3-[3-chloro-5-ethoxy-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-1148 |
| Compound Name: | 3-[3-chloro-5-ethoxy-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 527.04 |
| Molecular Formula: | C26 H27 Cl N4 O4 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(CC(C)C)s2)=O)cc(c1OCCOc1ccccc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.36 |
| logD: | 4.43 |
| logSw: | -7.37 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 160.68 |
| InChI Key: | HBTDCVSQZDDTQK-UHFFFAOYSA-N |