3-(4-{2-[4-(sec-butyl)phenoxy]ethoxy}-3-chloro-5-methoxyphenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-(4-{2-[4-(sec-butyl)phenoxy]ethoxy}-3-chloro-5-methoxyphenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-(4-{2-[4-(sec-butyl)phenoxy]ethoxy}-3-chloro-5-methoxyphenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5149 |
| Compound Name: | 3-(4-{2-[4-(sec-butyl)phenoxy]ethoxy}-3-chloro-5-methoxyphenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 541.07 |
| Molecular Formula: | C27 H29 Cl N4 O4 S |
| Smiles: | CCC(C)c1ccc(cc1)OCCOc1c(cc(/C=C(/C#N)C(Nc2nnc(CC)s2)=O)cc1[Cl])OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.19 |
| logD: | 5.26 |
| logSw: | -7.98 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 168.63 |
| InChI Key: | MYKCJYITPSVECP-KRWDZBQOSA-N |