methyl 4-{2-[4-ethyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[4-ethyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamido}benzoate
methyl 4-{2-[4-ethyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamido}benzoate
Compound characteristics
| Compound ID: | J016-0388 |
| Compound Name: | methyl 4-{2-[4-ethyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamido}benzoate |
| Molecular Weight: | 380.4 |
| Molecular Formula: | C20 H20 N4 O4 |
| Smiles: | CCc1ccc(c(c1)n1cnnc1)OCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0826 |
| logD: | 3.0824 |
| logSw: | -3.4962 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.607 |
| InChI Key: | JUSCACSBZRHQDD-UHFFFAOYSA-N |