3-{3-chloro-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{3-chloro-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-1865 |
| Compound Name: | 3-{3-chloro-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 517.02 |
| Molecular Formula: | C23 H21 Cl N4 O4 S2 |
| Smiles: | CCSc1nc(NC(C(=C/c2ccc(c(c2)[Cl])OCCOc2ccccc2OC)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 5.54 |
| logD: | 4.87 |
| logSw: | -6.45 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 184.5 |
| InChI Key: | JMHFGZNQCKHNLV-UHFFFAOYSA-N |