3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
Compound ID: | C356-0169 |
Compound Name: | 3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
Molecular Weight: | 549.02 |
Molecular Formula: | C23 H21 Cl N4 O6 S2 |
Smiles: | Cc1cc(ccc1[Cl])OCCOc1ccc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)cc1OC |
Stereo: | ACHIRAL |
logP: | 4.38 |
logD: | 2.03 |
logSw: | -5.19 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 244.58 |
InChI Key: | FRRQDFRHDKDPDG-UHFFFAOYSA-N |