3-(3-bromo-4-{2-[4-(sec-butyl)phenoxy]ethoxy}-5-methoxyphenyl)-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-methoxyphenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-(3-bromo-4-{2-[4-(sec-butyl)phenoxy]ethoxy}-5-methoxyphenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5150 |
| Compound Name: | 3-(3-bromo-4-{2-[4-(sec-butyl)phenoxy]ethoxy}-5-methoxyphenyl)-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: | CCC(C)c1ccc(cc1)OCCOc1c(cc(/C=C(/C#N)C(Nc2nnc(CC)s2)=O)cc1[Br])OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.09 |
| logD: | 5.16 |
| logSw: | -8.17 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 168.47 |
| InChI Key: | HLCZJGFRRSYCRA-KRWDZBQOSA-N |