5-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylic acid
Chemical Structure Depiction of
5-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylic acid
5-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylic acid
Compound characteristics
| Compound ID: | 5461-0009 |
| Compound Name: | 5-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 336.32 |
| Molecular Formula: | C13 H12 N4 O5 S |
| Smiles: | Cn1cnnc1SCC(Nc1cc(cc(c1)C(O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3798 |
| logD: | -1.9836 |
| logSw: | -2.1523 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.698 |
| InChI Key: | GTJXPCMUVOMGOV-UHFFFAOYSA-N |