3-[3-(2-bromoethoxy)phenyl]-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[3-(2-bromoethoxy)phenyl]-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-[3-(2-bromoethoxy)phenyl]-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5276 |
| Compound Name: | 3-[3-(2-bromoethoxy)phenyl]-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 407.29 |
| Molecular Formula: | C16 H15 Br N4 O2 S |
| Smiles: | CCc1nnc(NC(C(=C/c2cccc(c2)OCC[Br])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.87 |
| logD: | 1.94 |
| logSw: | -4.53 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 151.65 |
| InChI Key: | WMPJLVKJGRNGJI-UHFFFAOYSA-N |