2-cyano-3-{4-[2-(4-cyclohexylphenoxy)ethoxy]-3-methoxyphenyl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[2-(4-cyclohexylphenoxy)ethoxy]-3-methoxyphenyl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{4-[2-(4-cyclohexylphenoxy)ethoxy]-3-methoxyphenyl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 3948-1140 |
| Compound Name: | 2-cyano-3-{4-[2-(4-cyclohexylphenoxy)ethoxy]-3-methoxyphenyl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 572.61 |
| Molecular Formula: | C28 H27 F3 N4 O4 S |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)ccc1OCCOc1ccc(cc1)C1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 7.03 |
| logD: | 2.5 |
| logSw: | -7.47 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 173.13 |
| InChI Key: | NHEMLVLLZQALCT-UHFFFAOYSA-N |