2-cyano-3-(4-{2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy}-3-methoxyphenyl)-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-methoxyphenyl)-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(4-{2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy}-3-methoxyphenyl)-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 3948-1100 |
| Compound Name: | 2-cyano-3-(4-{2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy}-3-methoxyphenyl)-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 562.57 |
| Molecular Formula: | C26 H25 F3 N4 O5 S |
| Smiles: | Cc1ccc(cc1C)OCCOCCOc1ccc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.55 |
| logD: | 1.02 |
| logSw: | -6.23 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 176.44 |
| InChI Key: | FGPNFKIMKCVGBC-UHFFFAOYSA-N |