3-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-methoxyphenyl)-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-methoxyphenyl)-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-methoxyphenyl)-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 3948-1014 |
| Compound Name: | 3-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-methoxyphenyl)-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 540.97 |
| Molecular Formula: | C22 H16 Cl F3 N4 O3 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)ccc1OCCSc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.77 |
| logD: | 1.24 |
| logSw: | -6.62 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 187.57 |
| InChI Key: | KDRGCQNEQDCANE-UHFFFAOYSA-N |