2-cyano-3-(3-ethoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3-ethoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(3-ethoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 3948-0977 |
| Compound Name: | 2-cyano-3-(3-ethoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 534.58 |
| Molecular Formula: | C24 H21 F3 N4 O3 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)ccc1OCCSc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.74 |
| logD: | 1.21 |
| logSw: | -6.5 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 180.73 |
| InChI Key: | UWUHMXLWPLXNCL-UHFFFAOYSA-N |