1-{2,5-dimethyl-1-[(oxolan-2-yl)methyl]-1H-pyrrol-3-yl}-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-{2,5-dimethyl-1-[(oxolan-2-yl)methyl]-1H-pyrrol-3-yl}-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one
1-{2,5-dimethyl-1-[(oxolan-2-yl)methyl]-1H-pyrrol-3-yl}-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 5228-2650 |
| Compound Name: | 1-{2,5-dimethyl-1-[(oxolan-2-yl)methyl]-1H-pyrrol-3-yl}-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C24 H26 N4 O2 S |
| Smiles: | Cc1cc2nnc(n2c2ccccc12)SCC(c1cc(C)n(CC2CCCO2)c1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8998 |
| logD: | 3.8998 |
| logSw: | -3.8509 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.905 |
| InChI Key: | NSOHYQYEABCGBL-GOSISDBHSA-N |