1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one
1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 6481-7318 |
| Compound Name: | 1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C21 H22 N4 O2 S |
| Smiles: | Cc1cc(C(CSc2nnc3ccc4ccccc4n23)=O)c(C)n1CCOC |
| Stereo: | ACHIRAL |
| logP: | 3.2202 |
| logD: | 3.2202 |
| logSw: | -3.4456 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.843 |
| InChI Key: | SMTMEZTYVIQTET-UHFFFAOYSA-N |