4-(5-{[(4-methoxyphenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
Chemical Structure Depiction of
4-(5-{[(4-methoxyphenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
4-(5-{[(4-methoxyphenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 3173-0222 |
| Compound Name: | 4-(5-{[(4-methoxyphenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid |
| Molecular Weight: | 342.37 |
| Molecular Formula: | C16 H14 N4 O3 S |
| Smiles: | COc1ccc(CSc2nnnn2c2ccc(cc2)C(O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0503 |
| logD: | 0.1641 |
| logSw: | -3.1626 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.841 |
| InChI Key: | KJUUEBYKNZHOQU-UHFFFAOYSA-N |