N-benzyl-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Chemical Structure Depiction of
N-benzyl-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
N-benzyl-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Compound characteristics
| Compound ID: | J016-0004 |
| Compound Name: | N-benzyl-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide |
| Molecular Weight: | 322.36 |
| Molecular Formula: | C18 H18 N4 O2 |
| Smiles: | Cc1ccc(c(c1)n1cnnc1)OCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0414 |
| logD: | 2.0413 |
| logSw: | -2.6849 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.755 |
| InChI Key: | LLFOHANDVSYNKC-UHFFFAOYSA-N |