ethyl 4-{2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 4497-0013 |
| Compound Name: | ethyl 4-{2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C17 H22 N4 O3 S |
| Smiles: | CCCCc1nnc([nH]1)SCC(Nc1ccc(cc1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1873 |
| logD: | 2.858 |
| logSw: | -3.3115 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.639 |
| InChI Key: | JWLDAFJAYZCQKS-UHFFFAOYSA-N |