3-{3-chloro-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{3-chloro-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0787 |
| Compound Name: | 3-{3-chloro-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 549.02 |
| Molecular Formula: | C23 H21 Cl N4 O6 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2ccc(c(c2)[Cl])OCCOc2cccc(c2)OC)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.49 |
| logD: | 2.13 |
| logSw: | -5.05 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 222.71 |
| InChI Key: | ZRBGNQGIZUBWRL-UHFFFAOYSA-N |