2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}acrylamide
2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | C356-0629 |
| Compound Name: | 2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}acrylamide |
| Molecular Weight: | 544.6 |
| Molecular Formula: | C24 H24 N4 O7 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2ccc(c(c2)OC)OCCOc2ccc(cc2)OC)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.73 |
| logD: | 1.38 |
| logSw: | -4.86 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 247.68 |
| InChI Key: | JGOVRBOOEXKOAZ-UHFFFAOYSA-N |