4-({[1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid
Chemical Structure Depiction of
4-({[1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid
4-({[1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid
Compound characteristics
| Compound ID: | 8014-7142 |
| Compound Name: | 4-({[1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C17 H16 N4 O2 S |
| Smiles: | Cc1ccc(cc1C)n1c(nnn1)SCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1954 |
| logD: | 1.2239 |
| logSw: | -4.0894 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.297 |
| InChI Key: | PUXNRYAASFLXJO-UHFFFAOYSA-N |