3-{3-chloro-5-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-5-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-chloro-5-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0966 |
| Compound Name: | 3-{3-chloro-5-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 514.99 |
| Molecular Formula: | C24 H23 Cl N4 O5 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(C)s2)=O)cc(c1OCCOc1ccc(cc1)OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.76 |
| logD: | 2.81 |
| logSw: | -5.77 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 180.74 |
| InChI Key: | LNQZRCMEXMCCJV-UHFFFAOYSA-N |