N-[3-(methylsulfanyl)phenyl]-2-[4-(propan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-[4-(propan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
N-[3-(methylsulfanyl)phenyl]-2-[4-(propan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Compound characteristics
| Compound ID: | J016-0658 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-[4-(propan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C20 H22 N4 O2 S |
| Smiles: | CC(C)c1ccc(c(c1)n1cnnc1)OCC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8962 |
| logD: | 3.896 |
| logSw: | -4.0543 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.433 |
| InChI Key: | XAZYDQBMYVJXFD-UHFFFAOYSA-N |