1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one
Compound characteristics
Compound ID: | D278-0864 |
Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one |
Molecular Weight: | 402.52 |
Molecular Formula: | C23 H22 N4 O S |
Smiles: | Cc1cc2nnc(n2c2c(C)cccc12)SCC(N1CCCc2ccccc12)=O |
Stereo: | ACHIRAL |
logP: | 4.8625 |
logD: | 4.8625 |
logSw: | -4.7341 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 35.915 |
InChI Key: | RUUQWPITTWFDPV-UHFFFAOYSA-N |