2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-(4-methylphenyl)ethan-1-one
Chemical Structure Depiction of
2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-(4-methylphenyl)ethan-1-one
2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-(4-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | D308-0357 |
| Compound Name: | 2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-(4-methylphenyl)ethan-1-one |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C21 H19 N3 O S |
| Smiles: | Cc1ccc(cc1)C(CSc1nnc2cc(C)c3cccc(C)c3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.979 |
| logD: | 4.979 |
| logSw: | -4.9786 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.105 |
| InChI Key: | CYDDCALTLCWNIL-UHFFFAOYSA-N |