3-[2-(2-bromoethoxy)phenyl]-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[2-(2-bromoethoxy)phenyl]-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-[2-(2-bromoethoxy)phenyl]-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5277 |
| Compound Name: | 3-[2-(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/c2ccccc2OCC[Br])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.08 |
| logD: | 2.45 |
| logSw: | -4.84 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 135.96 |
| InChI Key: | UWMOAKHXXBBGOL-UHFFFAOYSA-N |