5-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylic acid
Chemical Structure Depiction of
5-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylic acid
5-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylic acid
Compound characteristics
| Compound ID: | 5461-0020 |
| Compound Name: | 5-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 353.37 |
| Molecular Formula: | C13 H11 N3 O5 S2 |
| Smiles: | Cc1nnc(SCC(Nc2cc(cc(c2)C(O)=O)C(O)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.2608 |
| logD: | -1.1025 |
| logSw: | -2.5328 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.604 |
| InChI Key: | SBLDDYMRFUMKDN-UHFFFAOYSA-N |