4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid
Chemical Structure Depiction of
4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid
4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 3173-0221 |
| Compound Name: | 4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid |
| Molecular Weight: | 308.31 |
| Molecular Formula: | C12 H12 N4 O4 S |
| Smiles: | CCOC(CSc1nnnn1c1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9546 |
| logD: | -0.9316 |
| logSw: | -2.4376 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.727 |
| InChI Key: | OBYAPZNXTSYATC-UHFFFAOYSA-N |