2-cyano-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0107 |
| Compound Name: | 2-cyano-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 509.39 |
| Molecular Formula: | C20 H14 Cl2 N4 O4 S2 |
| Smiles: | CS(c1nnc(NC(C(=C/c2ccc(cc2)OCc2ccc(cc2[Cl])[Cl])\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.61 |
| logD: | 2.26 |
| logSw: | -5.7 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 219.13 |
| InChI Key: | AJGDUJGUGTXKGC-UHFFFAOYSA-N |