1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-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-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | L850-1864 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 432.5 |
| Molecular Formula: | C22 H20 N6 O2 S |
| Smiles: | Cn1c(c2nc(c3ccccc3)no2)nnc1SCC(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6039 |
| logD: | 3.6039 |
| logSw: | -3.616 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.783 |
| InChI Key: | GGDHUVWFLXLJOZ-UHFFFAOYSA-N |