2-cyano-3-{3-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{3-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0194 |
| Compound Name: | 2-cyano-3-{3-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C23 H22 N4 O5 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)ccc1OCc1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.95 |
| logD: | 1.6 |
| logSw: | -4.86 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 214.95 |
| InChI Key: | RRYQGRQYHZJRMJ-UHFFFAOYSA-N |