methyl 2-{2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | Y510-4618 |
| Compound Name: | methyl 2-{2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 307.33 |
| Molecular Formula: | C12 H13 N5 O3 S |
| Smiles: | Cn1c(nnn1)SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8786 |
| logD: | 0.864 |
| logSw: | -2.3758 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.936 |
| InChI Key: | QPJALGCILZMUHL-UHFFFAOYSA-N |