methyl 3-{2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 3-{2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate
methyl 3-{2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D308-0266 |
| Compound Name: | methyl 3-{2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C20 H16 N4 O3 S |
| Smiles: | COC(c1cccc(c1)NC(CSc1nnc2ccc3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7272 |
| logD: | 3.7272 |
| logSw: | -4.1093 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.405 |
| InChI Key: | GITSJUCXMCBUGA-UHFFFAOYSA-N |