3-(3-bromo-4-{2-[4-(sec-butyl)phenoxy]ethoxy}-5-ethoxyphenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-(3-bromo-4-{2-[4-(sec-butyl)phenoxy]ethoxy}-5-ethoxyphenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-(3-bromo-4-{2-[4-(sec-butyl)phenoxy]ethoxy}-5-ethoxyphenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5151 |
| Compound Name: | 3-(3-bromo-4-{2-[4-(sec-butyl)phenoxy]ethoxy}-5-ethoxyphenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 599.55 |
| Molecular Formula: | C28 H31 Br N4 O4 S |
| Smiles: | CCC(C)c1ccc(cc1)OCCOc1c(cc(/C=C(/C#N)C(Nc2nnc(CC)s2)=O)cc1[Br])OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.37 |
| logD: | 5.44 |
| logSw: | -8.4 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 164.85 |
| InChI Key: | LOOFXVNTYWGCIM-SFHVURJKSA-N |