3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 3948-0765 |
| Compound Name: | 3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 494.88 |
| Molecular Formula: | C21 H14 Cl F3 N4 O3 S |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)ccc1OCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.18 |
| logD: | 0.64 |
| logSw: | -6.27 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 158.95 |
| InChI Key: | NKPLRSHDXQVYNS-UHFFFAOYSA-N |