3-(4-{2-[4-(sec-butyl)phenoxy]ethoxy}-3-ethoxyphenyl)-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-(4-{2-[4-(sec-butyl)phenoxy]ethoxy}-3-ethoxyphenyl)-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
3-(4-{2-[4-(sec-butyl)phenoxy]ethoxy}-3-ethoxyphenyl)-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3797-0804 |
| Compound Name: | 3-(4-{2-[4-(sec-butyl)phenoxy]ethoxy}-3-ethoxyphenyl)-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 534.68 |
| Molecular Formula: | C29 H34 N4 O4 S |
| Smiles: | CCC(C)c1ccc(cc1)OCCOc1ccc(/C=C(/C#N)C(Nc2nnc(C(C)C)s2)=O)cc1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.83 |
| logD: | 4.92 |
| logSw: | -7.88 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 167.23 |
| InChI Key: | SSSWCXUYLGGIDL-FQEVSTJZSA-N |