3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-1162 |
| Compound Name: | 3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 527.04 |
| Molecular Formula: | C26 H27 Cl N4 O4 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(C(C)C)s2)=O)ccc1OCCOc1ccc(c(C)c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.18 |
| logD: | 4.27 |
| logSw: | -7.22 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 163.39 |
| InChI Key: | HDXFFBZLQPKRAJ-UHFFFAOYSA-N |