2-cyano-3-{4-[(3-methylbenzyl)oxy]phenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[(3-methylbenzyl)oxy]phenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-{4-[(3-methylbenzyl)oxy]phenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0182 |
| Compound Name: | 2-cyano-3-{4-[(3-methylbenzyl)oxy]phenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C21 H18 N4 O4 S2 |
| Smiles: | Cc1cccc(COc2ccc(/C=C(/C#N)C(Nc3nc(ns3)S(C)(=O)=O)=O)cc2)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.96 |
| logD: | 1.6 |
| logSw: | -4.77 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 202.02 |
| InChI Key: | ROEBVGPIJSYTIX-UHFFFAOYSA-N |