2-cyano-3-[3-ethoxy-4-(1-phenylethoxy)phenyl]-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[3-ethoxy-4-(1-phenylethoxy)phenyl]-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[3-ethoxy-4-(1-phenylethoxy)phenyl]-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
Compound ID: | C356-0519 |
Compound Name: | 2-cyano-3-[3-ethoxy-4-(1-phenylethoxy)phenyl]-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
Molecular Weight: | 512.61 |
Molecular Formula: | C24 H24 N4 O5 S2 |
Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(CC)(=O)=O)=O)ccc1OC(C)c1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.63 |
logD: | 2.28 |
logSw: | -5.2 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 211.38 |
InChI Key: | MPYCYXGOMFZSSK-INIZCTEOSA-N |