methyl 2-{2-[(5,7,9-trimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(5,7,9-trimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(5,7,9-trimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D278-1266 |
| Compound Name: | methyl 2-{2-[(5,7,9-trimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C23 H22 N4 O3 S |
| Smiles: | Cc1cc(C)c2c(c1)c(C)cc1nnc(n12)SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7844 |
| logD: | 4.7715 |
| logSw: | -4.5541 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.483 |
| InChI Key: | DWEUDWJRFIGXCE-UHFFFAOYSA-N |