3-(4-{2-[4-(tert-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-(tert-butyl)phenoxy]ethoxy}-3-ethoxyphenyl)-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
3-(4-{2-[4-(tert-butyl)phenoxy]ethoxy}-3-ethoxyphenyl)-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3797-0805 |
| Compound Name: | 3-(4-{2-[4-(tert-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: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(C(C)C)s2)=O)ccc1OCCOc1ccc(cc1)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.69 |
| logD: | 4.78 |
| logSw: | -7.62 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 161.48 |
| InChI Key: | JAMVSKCXCPTUQN-UHFFFAOYSA-N |