N-(4-acetamidophenyl)-2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-acetamidophenyl)-2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
N-(4-acetamidophenyl)-2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D308-0454 |
| Compound Name: | N-(4-acetamidophenyl)-2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C22 H21 N5 O2 S |
| Smiles: | CC(Nc1ccc(cc1)NC(CSc1nnc2cc(C)c3cccc(C)c3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6296 |
| logD: | 3.6296 |
| logSw: | -4.0316 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.269 |
| InChI Key: | HAYGXKLEGUBBGX-UHFFFAOYSA-N |