2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}acrylamide
2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | C355-0539 |
| Compound Name: | 2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}acrylamide |
| Molecular Weight: | 544.6 |
| Molecular Formula: | C24 H24 N4 O7 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2ccc(c(c2)OC)OCCOc2cccc(c2)OC)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.67 |
| logD: | 1.32 |
| logSw: | -4.74 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 242.72 |
| InChI Key: | KQKUGXSQLYSGJD-UHFFFAOYSA-N |