3-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}phenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}phenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}phenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5216 |
| Compound Name: | 3-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}phenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 471 |
| Molecular Formula: | C22 H19 Cl N4 O2 S2 |
| Smiles: | CCc1nnc(NC(C(=C/c2ccc(cc2)OCCSc2ccc(cc2)[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.78 |
| logD: | 3.85 |
| logSw: | -6.5 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 182.55 |
| InChI Key: | BZCSNGRPHJVVPU-UHFFFAOYSA-N |