3-[3-bromo-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[3-bromo-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-[3-bromo-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5118 |
| Compound Name: | 3-[3-bromo-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 529.41 |
| Molecular Formula: | C23 H21 Br N4 O4 S |
| Smiles: | CCc1nnc(NC(C(=C/c2cc(c(c(c2)[Br])OCCOc2ccccc2)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.14 |
| logD: | 3.21 |
| logSw: | -6.07 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 165.49 |
| InChI Key: | PPDFLTLIDXJFGG-UHFFFAOYSA-N |