5-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylic acid
Chemical Structure Depiction of
5-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylic acid
5-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylic acid
Compound characteristics
| Compound ID: | Y505-4936 |
| Compound Name: | 5-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 399.38 |
| Molecular Formula: | C17 H13 N5 O5 S |
| Smiles: | C(C(Nc1cc(cc(c1)C(O)=O)C(O)=O)=O)Sc1nnnn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9576 |
| logD: | -0.4057 |
| logSw: | -3.3633 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 119.854 |
| InChI Key: | NJGOTJFRPXUFKS-UHFFFAOYSA-N |