3-{4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-1153 |
| Compound Name: | 3-{4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-isobutyl-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(CC(C)C)s2)=O)ccc1OCCOc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.69 |
| logD: | 3.76 |
| logSw: | -6.47 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 158.01 |
| InChI Key: | AGSJFOVQNWGPDL-UHFFFAOYSA-N |