3-{4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0171 |
| Compound Name: | 3-{4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 535 |
| Molecular Formula: | C22 H19 Cl N4 O6 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)ccc1OCCOc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.43 |
| logD: | 1.08 |
| logSw: | -4.16 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 238.21 |
| InChI Key: | ABSKYNRMTNFQLX-UHFFFAOYSA-N |