methyl 2-(2-{[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8014-6655 |
| Compound Name: | methyl 2-(2-{[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 385.4 |
| Molecular Formula: | C17 H15 N5 O4 S |
| Smiles: | COC(c1ccccc1NC(CSc1nnnn1c1cccc(c1)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3157 |
| logD: | 2.3038 |
| logSw: | -2.8839 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.131 |
| InChI Key: | DWOCIKSMTRXYSV-UHFFFAOYSA-N |