3-{4-[(2-chlorobenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{4-[(2-chlorobenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{4-[(2-chlorobenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0594 |
| Compound Name: | 3-{4-[(2-chlorobenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 488.97 |
| Molecular Formula: | C21 H17 Cl N4 O4 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2ccc(cc2)OCc2ccccc2[Cl])\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.39 |
| logD: | 2.03 |
| logSw: | -5.24 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 200.78 |
| InChI Key: | ILZWQBPJUFAXKJ-UHFFFAOYSA-N |