4-({[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid
Chemical Structure Depiction of
4-({[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid
4-({[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid
Compound characteristics
| Compound ID: | 6646-0138 |
| Compound Name: | 4-({[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid |
| Molecular Weight: | 342.37 |
| Molecular Formula: | C16 H14 N4 O3 S |
| Smiles: | COc1ccc(cc1)n1c(nnn1)SCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0503 |
| logD: | 0.0788 |
| logSw: | -3.1626 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.841 |
| InChI Key: | DQMNITOYRRQPON-UHFFFAOYSA-N |