3-{3-bromo-5-ethoxy-4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-bromo-5-ethoxy-4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-bromo-5-ethoxy-4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5208 |
| Compound Name: | 3-{3-bromo-5-ethoxy-4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 585.52 |
| Molecular Formula: | C27 H29 Br N4 O4 S |
| Smiles: | CCc1cc(C)cc(c1)OCCOc1c(cc(/C=C(/C#N)C(Nc2nnc(CC)s2)=O)cc1[Br])OCC |
| Stereo: | ACHIRAL |
| logP: | 6.97 |
| logD: | 5.04 |
| logSw: | -7.84 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 167.1 |
| InChI Key: | LNAWMSIJLRETKJ-UHFFFAOYSA-N |