3-{4-[2-(2-allylphenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{4-[2-(2-allylphenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{4-[2-(2-allylphenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 3948-1029 |
| Compound Name: | 3-{4-[2-(2-allylphenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 544.55 |
| Molecular Formula: | C26 H23 F3 N4 O4 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)ccc1OCCOc1ccccc1CC=C |
| Stereo: | ACHIRAL |
| logP: | 5.79 |
| logD: | 1.25 |
| logSw: | -6.67 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 148.26 |
| InChI Key: | HNULZVSFXWGTKD-UHFFFAOYSA-N |