3-[4-(benzyloxy)-3-chloro-5-methoxyphenyl]-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)-3-chloro-5-methoxyphenyl]-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[4-(benzyloxy)-3-chloro-5-methoxyphenyl]-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 8013-1233 |
| Compound Name: | 3-[4-(benzyloxy)-3-chloro-5-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)cc(c1OCc1ccccc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.76 |
| logD: | 1.23 |
| logSw: | -6.83 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 142.73 |
| InChI Key: | PLWSZUGNTOUPEB-UHFFFAOYSA-N |