methyl 4-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D278-1264 |
| Compound Name: | methyl 4-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Smiles: | Cc1cc2nnc(n2c2ccccc12)SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.055 |
| logD: | 4.0549 |
| logSw: | -4.1317 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.405 |
| InChI Key: | WKOWWAQUJQJYOP-UHFFFAOYSA-N |