1-(1-benzyl-2,5-dimethyl-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-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one
1-(1-benzyl-2,5-dimethyl-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: | 5067-0714 |
| Compound Name: | 1-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 440.57 |
| Molecular Formula: | C26 H24 N4 O S |
| Smiles: | Cc1cc2nnc(n2c2ccccc12)SCC(c1cc(C)n(Cc2ccccc2)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3194 |
| logD: | 5.3194 |
| logSw: | -5.4941 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.25 |
| InChI Key: | JHIZFLRWCDXJPS-UHFFFAOYSA-N |