3-(2-{2-[4-(sec-butyl)phenoxy]ethoxy}-5-chlorophenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-(2-{2-[4-(sec-butyl)phenoxy]ethoxy}-5-chlorophenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-(2-{2-[4-(sec-butyl)phenoxy]ethoxy}-5-chlorophenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5247 |
| Compound Name: | 3-(2-{2-[4-(sec-butyl)phenoxy]ethoxy}-5-chlorophenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 511.04 |
| Molecular Formula: | C26 H27 Cl N4 O3 S |
| Smiles: | CCC(C)c1ccc(cc1)OCCOc1ccc(cc1/C=C(/C#N)C(Nc1nnc(CC)s1)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.43 |
| logD: | 5.8 |
| logSw: | -8.07 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 153.21 |
| InChI Key: | WDQJHAVVPVNXCZ-KRWDZBQOSA-N |