1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-[(4-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-[(4-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one
1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-[(4-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 6481-7328 |
| Compound Name: | 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-[(4-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C24 H24 N4 O3 S |
| Smiles: | Cc1cc2ccccc2n2c(nnc12)SCC(N1CCc2cc(c(cc2C1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7606 |
| logD: | 3.7605 |
| logSw: | -3.9541 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.944 |
| InChI Key: | UEARURFAOJZBKU-UHFFFAOYSA-N |