4-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
Chemical Structure Depiction of
4-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
4-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | L150-0307 |
| Compound Name: | 4-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid |
| Molecular Weight: | 346.79 |
| Molecular Formula: | C15 H11 Cl N4 O2 S |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1nnnn1c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6627 |
| logD: | 0.7765 |
| logSw: | -4.1429 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.297 |
| InChI Key: | LJUMDBGKWRMLPG-UHFFFAOYSA-N |