methyl 4-{2-[4-chloro-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[4-chloro-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamido}benzoate
methyl 4-{2-[4-chloro-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamido}benzoate
Compound characteristics
| Compound ID: | J015-0356 |
| Compound Name: | methyl 4-{2-[4-chloro-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamido}benzoate |
| Molecular Weight: | 386.79 |
| Molecular Formula: | C18 H15 Cl N4 O4 |
| Smiles: | COC(c1ccc(cc1)NC(COc1ccc(cc1n1cnnc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7334 |
| logD: | 2.7332 |
| logSw: | -3.6324 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.607 |
| InChI Key: | APFLUJIUYGBIEB-UHFFFAOYSA-N |