3-[3-bromo-5-ethoxy-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[3-bromo-5-ethoxy-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
3-[3-bromo-5-ethoxy-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3773-0402 |
| Compound Name: | 3-[3-bromo-5-ethoxy-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 557.47 |
| Molecular Formula: | C25 H25 Br N4 O4 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(C(C)C)s2)=O)cc(c1OCCOc1ccccc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.8 |
| logD: | 3.89 |
| logSw: | -6.78 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 159.53 |
| InChI Key: | NJJAUNCESBXIFG-UHFFFAOYSA-N |