N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Compound characteristics
| Compound ID: | J016-0155 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide |
| Molecular Weight: | 366.37 |
| Molecular Formula: | C19 H18 N4 O4 |
| Smiles: | Cc1ccc(c(c1)n1cnnc1)OCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9545 |
| logD: | 1.9544 |
| logSw: | -2.4757 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.87 |
| InChI Key: | XFQFHWHZEGETKK-UHFFFAOYSA-N |