1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-({4-ethyl-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-ethyl-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-ethyl-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: | L849-1251 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 472.61 |
| Molecular Formula: | C26 H28 N6 O S |
| Smiles: | CCn1c(c2cn(C)nc2c2ccc(C)cc2)nnc1SCC(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.096 |
| logD: | 4.096 |
| logSw: | -3.9672 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.104 |
| InChI Key: | KFZBUGNOXKFZRO-UHFFFAOYSA-N |