2-cyano-3-{3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 4277-0584 |
| Compound Name: | 2-cyano-3-{3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 488.49 |
| Molecular Formula: | C23 H19 F3 N4 O3 S |
| Smiles: | Cc1ccc(c(C)c1)OCCOc1cccc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.06 |
| logD: | 1.53 |
| logSw: | -6.91 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 157.61 |
| InChI Key: | ZNEYBLJJSYGJIY-UHFFFAOYSA-N |