2-cyano-3-(3-methoxy-4-{2-[2-(2-methylphenoxy)ethoxy]ethoxy}phenyl)-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3-methoxy-4-{2-[2-(2-methylphenoxy)ethoxy]ethoxy}phenyl)-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(3-methoxy-4-{2-[2-(2-methylphenoxy)ethoxy]ethoxy}phenyl)-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 3948-1045 |
| Compound Name: | 2-cyano-3-(3-methoxy-4-{2-[2-(2-methylphenoxy)ethoxy]ethoxy}phenyl)-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 548.54 |
| Molecular Formula: | C25 H23 F3 N4 O5 S |
| Smiles: | Cc1ccccc1OCCOCCOc1ccc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.93 |
| logD: | 0.39 |
| logSw: | -6.05 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 172.8 |
| InChI Key: | IIXHLBURSILMPF-UHFFFAOYSA-N |