2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide
2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide
Compound characteristics
Compound ID: | C356-0505 |
Compound Name: | 2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide |
Molecular Weight: | 528.61 |
Molecular Formula: | C24 H24 N4 O6 S2 |
Smiles: | CCS(c1nnc(NC(C(=C/c2ccc(c(c2)OC)OCCOc2cccc(C)c2)\C#N)=O)s1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.24 |
logD: | 1.89 |
logSw: | -5.02 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 231.8 |
InChI Key: | HVTNSRVIFONFHW-UHFFFAOYSA-N |