2-cyano-3-(4-{2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy}-3-ethoxyphenyl)-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(4-{2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy}-3-ethoxyphenyl)-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(4-{2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy}-3-ethoxyphenyl)-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 3948-1149 |
| Compound Name: | 2-cyano-3-(4-{2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy}-3-ethoxyphenyl)-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 576.59 |
| Molecular Formula: | C27 H27 F3 N4 O5 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)ccc1OCCOCCOc1ccc(C)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.7 |
| logD: | 1.16 |
| logSw: | -6.35 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 168.67 |
| InChI Key: | YNIXMPQKIQDFQK-UHFFFAOYSA-N |