2-cyano-3-(3-ethoxy-4-{2-[4-(hexyloxy)phenoxy]ethoxy}phenyl)-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3-ethoxy-4-{2-[4-(hexyloxy)phenoxy]ethoxy}phenyl)-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(3-ethoxy-4-{2-[4-(hexyloxy)phenoxy]ethoxy}phenyl)-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 3948-1229 |
| Compound Name: | 2-cyano-3-(3-ethoxy-4-{2-[4-(hexyloxy)phenoxy]ethoxy}phenyl)-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 604.65 |
| Molecular Formula: | C29 H31 F3 N4 O5 S |
| Smiles: | CCCCCCOc1ccc(cc1)OCCOc1ccc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 7.31 |
| logD: | 2.78 |
| logSw: | -7.31 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 176.89 |
| InChI Key: | ZPGLHPCMRRBTIX-UHFFFAOYSA-N |