4-{5-[(2-phenylethyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid
Chemical Structure Depiction of
4-{5-[(2-phenylethyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid
4-{5-[(2-phenylethyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | L150-0368 |
| Compound Name: | 4-{5-[(2-phenylethyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid |
| Molecular Weight: | 326.37 |
| Molecular Formula: | C16 H14 N4 O2 S |
| Smiles: | C(CSc1nnnn1c1ccc(cc1)C(O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6535 |
| logD: | 0.7673 |
| logSw: | -3.906 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.297 |
| InChI Key: | AALSGOCVVZCJKX-UHFFFAOYSA-N |