4-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}benzoic acid
Chemical Structure Depiction of
4-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}benzoic acid
4-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}benzoic acid
Compound characteristics
| Compound ID: | 5461-0084 |
| Compound Name: | 4-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}benzoic acid |
| Molecular Weight: | 355.37 |
| Molecular Formula: | C16 H13 N5 O3 S |
| Smiles: | C(C(Nc1ccc(cc1)C(O)=O)=O)Sc1nnnn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6219 |
| logD: | 0.2267 |
| logSw: | -3.0856 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.446 |
| InChI Key: | HKOJWQYOBZLZNV-UHFFFAOYSA-N |