methyl 4-(2-{[1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 5251-0033 |
| Compound Name: | methyl 4-(2-{[1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C19 H19 N5 O3 S |
| Smiles: | Cc1ccc(cc1C)n1c(nnn1)SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1134 |
| logD: | 4.1134 |
| logSw: | -4.2224 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.212 |
| InChI Key: | JTVPOLHMIRMYLS-UHFFFAOYSA-N |