2-cyano-3-{4-[3-(4-methylphenoxy)propoxy]phenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[3-(4-methylphenoxy)propoxy]phenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-{4-[3-(4-methylphenoxy)propoxy]phenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
Compound ID: | C355-0206 |
Compound Name: | 2-cyano-3-{4-[3-(4-methylphenoxy)propoxy]phenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
Molecular Weight: | 498.58 |
Molecular Formula: | C23 H22 N4 O5 S2 |
Smiles: | Cc1ccc(cc1)OCCCOc1ccc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 4.2 |
logD: | 1.85 |
logSw: | -5.19 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 219.23 |
InChI Key: | YMKHCWGQBDXSMT-UHFFFAOYSA-N |