2-{2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamido}benzoic acid
Chemical Structure Depiction of
2-{2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamido}benzoic acid
2-{2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamido}benzoic acid
Compound characteristics
| Compound ID: | J016-0034 |
| Compound Name: | 2-{2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamido}benzoic acid |
| Molecular Weight: | 352.35 |
| Molecular Formula: | C18 H16 N4 O4 |
| Smiles: | Cc1ccc(c(c1)n1cnnc1)OCC(Nc1ccccc1C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5046 |
| logD: | -1.9083 |
| logSw: | -2.9215 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.143 |
| InChI Key: | MEDLZWPXEKFJNW-UHFFFAOYSA-N |