4-{5-[(2-anilino-2-oxoethyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid
Chemical Structure Depiction of
4-{5-[(2-anilino-2-oxoethyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid
4-{5-[(2-anilino-2-oxoethyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 5417-0913 |
| Compound Name: | 4-{5-[(2-anilino-2-oxoethyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid |
| Molecular Weight: | 355.37 |
| Molecular Formula: | C16 H13 N5 O3 S |
| Smiles: | C(C(Nc1ccccc1)=O)Sc1nnnn1c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5517 |
| logD: | -0.3345 |
| logSw: | -2.8176 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.446 |
| InChI Key: | GYVIBFGWXASIJR-UHFFFAOYSA-N |