3-[(2-{[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)methyl]benzoic acid
Chemical Structure Depiction of
3-[(2-{[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)methyl]benzoic acid
3-[(2-{[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)methyl]benzoic acid
Compound characteristics
Compound ID: | 6646-0098 |
Compound Name: | 3-[(2-{[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)methyl]benzoic acid |
Molecular Weight: | 397.45 |
Molecular Formula: | C19 H19 N5 O3 S |
Smiles: | Cc1ccc(c(C)c1)n1c(nnn1)SCC(NCc1cccc(c1)C(O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.5559 |
logD: | 0.1945 |
logSw: | -3.7173 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 92.467 |
InChI Key: | FCQJTGSXTJGGKB-UHFFFAOYSA-N |