N-(4-{[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}phenyl)acetamide
Chemical Structure Depiction of
N-(4-{[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}phenyl)acetamide
N-(4-{[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}phenyl)acetamide
Compound characteristics
| Compound ID: | D278-1005 |
| Compound Name: | N-(4-{[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}phenyl)acetamide |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C22 H20 N4 O2 S |
| Smiles: | CC(Nc1ccc(cc1)C(CSc1nnc2cc(C)c3cccc(C)c3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7569 |
| logD: | 3.7567 |
| logSw: | -4.1162 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.367 |
| InChI Key: | CNAKJXLRNDSSME-UHFFFAOYSA-N |