3-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
Chemical Structure Depiction of
3-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
3-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
Compound characteristics
Compound ID: | 6646-0132 |
Compound Name: | 3-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid |
Molecular Weight: | 346.79 |
Molecular Formula: | C15 H11 Cl N4 O2 S |
Smiles: | C(c1ccccc1[Cl])Sc1nnnn1c1cccc(c1)C(O)=O |
Stereo: | ACHIRAL |
logP: | 4.0883 |
logD: | -0.0296 |
logSw: | -4.2115 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.297 |
InChI Key: | JEMZGUAXODUYCV-UHFFFAOYSA-N |