6-{5-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl}-4-ethyl-2-(4-methylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione
Chemical Structure Depiction of
6-{5-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl}-4-ethyl-2-(4-methylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione
6-{5-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl}-4-ethyl-2-(4-methylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | F506-0706 |
| Compound Name: | 6-{5-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl}-4-ethyl-2-(4-methylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione |
| Molecular Weight: | 486.53 |
| Molecular Formula: | C26 H26 N6 O4 |
| Smiles: | CCN1C(C(c2nc(CCC(N3CCc4ccccc4C3)=O)on2)=NN(C1=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6784 |
| logD: | 3.6784 |
| logSw: | -3.6112 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 89.367 |
| InChI Key: | OACFMSAAAQWAFG-UHFFFAOYSA-N |