3-{3-chloro-5-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{3-chloro-5-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{3-chloro-5-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0202 |
| Compound Name: | 3-{3-chloro-5-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 533.02 |
| Molecular Formula: | C23 H21 Cl N4 O5 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)cc(c1OCc1cccc(C)c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.02 |
| logD: | 2.66 |
| logSw: | -5.99 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 197.05 |
| InChI Key: | WSSHINJDOUEXDA-UHFFFAOYSA-N |