3-(4-{2-[4-(acetylamino)phenoxy]ethoxy}-3,5-dimethoxyphenyl)-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-(4-{2-[4-(acetylamino)phenoxy]ethoxy}-3,5-dimethoxyphenyl)-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
3-(4-{2-[4-(acetylamino)phenoxy]ethoxy}-3,5-dimethoxyphenyl)-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C469-0285 |
| Compound Name: | 3-(4-{2-[4-(acetylamino)phenoxy]ethoxy}-3,5-dimethoxyphenyl)-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 523.57 |
| Molecular Formula: | C25 H25 N5 O6 S |
| Smiles: | CC(Nc1ccc(cc1)OCCOc1c(cc(/C=C(/C#N)C(Nc2nnc(C)s2)=O)cc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.78 |
| logD: | 0.83 |
| logSw: | -3.9 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 228.22 |
| InChI Key: | CRQUWVWTFXOXBH-UHFFFAOYSA-N |