N-[3-(methylsulfanyl)phenyl]-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
N-[3-(methylsulfanyl)phenyl]-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Compound characteristics
| Compound ID: | J016-0122 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C18 H18 N4 O2 S |
| Smiles: | Cc1ccc(c(c1)n1cnnc1)OCC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9789 |
| logD: | 2.9788 |
| logSw: | -3.3436 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.433 |
| InChI Key: | FWOCQBBPSIPYBX-UHFFFAOYSA-N |