3-{3-chloro-5-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{3-chloro-5-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{3-chloro-5-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-0046 |
| Compound Name: | 3-{3-chloro-5-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 517.02 |
| Molecular Formula: | C23 H21 Cl N4 O4 S2 |
| Smiles: | Cc1cccc(c1)OCCOc1c(cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc1[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 6.03 |
| logD: | 5.36 |
| logSw: | -7.32 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 193.39 |
| InChI Key: | YACNCSGBKCHAHK-UHFFFAOYSA-N |