2-cyano-3-{3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-{3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C277-4189 |
| Compound Name: | 2-cyano-3-{3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C23 H22 N4 O5 S2 |
| Smiles: | COc1cccc(c1)OCCOc1ccc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.69 |
| logD: | 4.01 |
| logSw: | -5.53 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 222.53 |
| InChI Key: | PHRQZDRODOLTLR-UHFFFAOYSA-N |