N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{4-[2-(2,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}acrylamide
Chemical Structure Depiction of
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{4-[2-(2,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}acrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{4-[2-(2,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}acrylamide
Compound characteristics
| Compound ID: | 4272-0630 |
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{4-[2-(2,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}acrylamide |
| Molecular Weight: | 554.67 |
| Molecular Formula: | C31 H30 N4 O4 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(Cc3ccccc3)s2)=O)ccc1OCCOc1ccc(C)cc1C |
| Stereo: | ACHIRAL |
| logP: | 6.6 |
| logD: | 5.29 |
| logSw: | -7.4 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 152.51 |
| InChI Key: | XKQLAECEJATNMO-UHFFFAOYSA-N |