3-{3-bromo-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{3-bromo-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{3-bromo-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 3948-1172 |
| Compound Name: | 3-{3-bromo-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 583.38 |
| Molecular Formula: | C23 H18 Br F3 N4 O4 S |
| Smiles: | Cc1ccccc1OCCOc1c(cc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)cc1[Br])OC |
| Stereo: | ACHIRAL |
| logP: | 5.9 |
| logD: | 1.37 |
| logSw: | -7.03 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 157.01 |
| InChI Key: | VDAXRSNHSPIOPS-UHFFFAOYSA-N |