1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
Compound ID: | L849-1441 |
Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
Molecular Weight: | 458.58 |
Molecular Formula: | C25 H26 N6 O S |
Smiles: | Cc1ccc(cc1)c1c(cn(C)n1)c1nnc(n1C)SCC(N1CCc2ccccc2C1)=O |
Stereo: | ACHIRAL |
logP: | 3.4815 |
logD: | 3.4815 |
logSw: | -3.483 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 56.189 |
InChI Key: | FDEZOINFRKRKFF-UHFFFAOYSA-N |