3-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-ethoxyphenyl)-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-ethoxyphenyl)-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
3-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-ethoxyphenyl)-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3797-0765 |
| Compound Name: | 3-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-ethoxyphenyl)-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 529.08 |
| Molecular Formula: | C25 H25 Cl N4 O3 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(C(C)C)s2)=O)ccc1OCCSc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.98 |
| logD: | 4.07 |
| logSw: | -6.89 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 179.34 |
| InChI Key: | VCXXGJFGCWQYEB-UHFFFAOYSA-N |