2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(4-methylbenzene-1-sulfonyl)acetamide
Chemical Structure Depiction of
2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(4-methylbenzene-1-sulfonyl)acetamide
2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(4-methylbenzene-1-sulfonyl)acetamide
Compound characteristics
| Compound ID: | D278-0852 |
| Compound Name: | 2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(4-methylbenzene-1-sulfonyl)acetamide |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C21 H20 N4 O3 S2 |
| Smiles: | Cc1ccc(cc1)S(NC(CSc1nnc2cc(C)c3cccc(C)c3n12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8874 |
| logD: | 0.5941 |
| logSw: | -3.9504 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.744 |
| InChI Key: | WRMBZCKOHYNJFG-UHFFFAOYSA-N |