1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | L850-1439 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 450.49 |
| Molecular Formula: | C22 H19 F N6 O2 S |
| Smiles: | Cn1c(c2nc(c3ccc(cc3)F)no2)nnc1SCC(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.738 |
| logD: | 3.738 |
| logSw: | -3.8722 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.783 |
| InChI Key: | RICZGVNMFNMFFB-UHFFFAOYSA-N |