3-{3-chloro-4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{3-chloro-4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0812 |
| Compound Name: | 3-{3-chloro-4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 547.05 |
| Molecular Formula: | C24 H23 Cl N4 O5 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2ccc(c(c2)[Cl])OCCOc2cc(C)ccc2C)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3 |
| logD: | 2.95 |
| logSw: | -6.17 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 197.56 |
| InChI Key: | GKTSWQFIGWQKTQ-UHFFFAOYSA-N |