3-{4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0941 |
| Compound Name: | 3-{4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 513.01 |
| Molecular Formula: | C25 H25 Cl N4 O4 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(C(C)C)s2)=O)ccc1OCCOc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.23 |
| logD: | 3.32 |
| logSw: | -6.18 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 157.02 |
| InChI Key: | SMYHILRJRJVRMQ-UHFFFAOYSA-N |