3-{3-chloro-4-[(2-chlorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[(2-chlorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{3-chloro-4-[(2-chlorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
Compound ID: | C356-0124 |
Compound Name: | 3-{3-chloro-4-[(2-chlorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
Molecular Weight: | 539.41 |
Molecular Formula: | C21 H16 Cl2 N4 O5 S2 |
Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)cc(c1OCc1ccccc1[Cl])[Cl] |
Stereo: | ACHIRAL |
logP: | 4.64 |
logD: | 2.29 |
logSw: | -5.46 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 219.37 |
InChI Key: | ZHBWSWJDNPUZNE-UHFFFAOYSA-N |