5-{2-[(pyridin-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylic acid
Chemical Structure Depiction of
5-{2-[(pyridin-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylic acid
5-{2-[(pyridin-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylic acid
Compound characteristics
| Compound ID: | 5461-0022 |
| Compound Name: | 5-{2-[(pyridin-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 332.33 |
| Molecular Formula: | C15 H12 N2 O5 S |
| Smiles: | C(C(Nc1cc(cc(c1)C(O)=O)C(O)=O)=O)Sc1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 2.6312 |
| logD: | -0.7322 |
| logSw: | -2.9826 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.341 |
| InChI Key: | SCQNINCLAWKPTM-UHFFFAOYSA-N |