methyl 2-{2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 6218-0012 |
| Compound Name: | methyl 2-{2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 306.34 |
| Molecular Formula: | C13 H14 N4 O3 S |
| Smiles: | Cc1nnc([nH]1)SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8142 |
| logD: | 0.395 |
| logSw: | -2.3316 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.984 |
| InChI Key: | WBOSKLYAPWRNEL-UHFFFAOYSA-N |