2-cyano-3-{4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0012 |
| Compound Name: | 2-cyano-3-{4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 542.63 |
| Molecular Formula: | C25 H26 N4 O6 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)ccc1OCCOc1ccc(C)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.28 |
| logD: | 1.93 |
| logSw: | -4.93 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 234.72 |
| InChI Key: | MCTGMSUDDFVUKA-UHFFFAOYSA-N |