methyl 4-{2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamido}benzoate
methyl 4-{2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamido}benzoate
Compound characteristics
| Compound ID: | J016-0030 |
| Compound Name: | methyl 4-{2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamido}benzoate |
| Molecular Weight: | 366.37 |
| Molecular Formula: | C19 H18 N4 O4 |
| Smiles: | Cc1ccc(c(c1)n1cnnc1)OCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6087 |
| logD: | 2.6085 |
| logSw: | -3.0692 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.607 |
| InChI Key: | OASCMQOXIMZJIJ-UHFFFAOYSA-N |