2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-{3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-{3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}acrylamide
2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-{3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | 4277-1529 |
| Compound Name: | 2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-{3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}acrylamide |
| Molecular Weight: | 548.66 |
| Molecular Formula: | C29 H32 N4 O5 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(C3CCCCC3)s2)=O)ccc1OCCOc1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.87 |
| logD: | 3.96 |
| logSw: | -6.69 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 176.36 |
| InChI Key: | DPUOAEKMOQPJIQ-UHFFFAOYSA-N |