1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | M882-0758 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 380.47 |
| Molecular Formula: | C20 H20 N4 O2 S |
| Smiles: | CCc1nc(c2ccc(nc2)SCC(N2CCc3ccccc3C2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.5799 |
| logD: | 3.5694 |
| logSw: | -3.4428 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.188 |
| InChI Key: | BRKBKFYTGACIIS-UHFFFAOYSA-N |