2-cyano-3-{3-methoxy-4-[(2-methylbenzyl)oxy]phenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-methoxy-4-[(2-methylbenzyl)oxy]phenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-{3-methoxy-4-[(2-methylbenzyl)oxy]phenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C354-0256 |
| Compound Name: | 2-cyano-3-{3-methoxy-4-[(2-methylbenzyl)oxy]phenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C22 H20 N4 O3 S2 |
| Smiles: | Cc1ccccc1COc1ccc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.23 |
| logD: | 4.56 |
| logSw: | -6.21 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 188.49 |
| InChI Key: | YLHOUQQIBVVGBQ-UHFFFAOYSA-N |