3-(4-{2-[4-(acetylamino)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-(acetylamino)phenoxy]ethoxy}-3-ethoxyphenyl)-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
3-(4-{2-[4-(acetylamino)phenoxy]ethoxy}-3-ethoxyphenyl)-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C469-0392 |
| Compound Name: | 3-(4-{2-[4-(acetylamino)phenoxy]ethoxy}-3-ethoxyphenyl)-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 535.62 |
| Molecular Formula: | C27 H29 N5 O5 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(C(C)C)s2)=O)ccc1OCCOc1ccc(cc1)NC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1 |
| logD: | 2.19 |
| logSw: | -4.92 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 206.12 |
| InChI Key: | KSFNVISJMWXPRD-UHFFFAOYSA-N |