4-(5-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
Chemical Structure Depiction of
4-(5-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
4-(5-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 3173-0219 |
| Compound Name: | 4-(5-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C18 H18 N4 O2 S |
| Smiles: | Cc1cc(C)c(CSc2nnnn2c2ccc(cc2)C(O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9885 |
| logD: | 2.1023 |
| logSw: | -4.4278 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.297 |
| InChI Key: | ILKUUNWQEODSNT-UHFFFAOYSA-N |