6-[5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1,2,4-oxadiazol-3-yl]-4-methyl-2-phenyl-1,2,4-triazine-3,5(2H,4H)-dione
Chemical Structure Depiction of
6-[5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1,2,4-oxadiazol-3-yl]-4-methyl-2-phenyl-1,2,4-triazine-3,5(2H,4H)-dione
6-[5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1,2,4-oxadiazol-3-yl]-4-methyl-2-phenyl-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | F486-0373 |
| Compound Name: | 6-[5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1,2,4-oxadiazol-3-yl]-4-methyl-2-phenyl-1,2,4-triazine-3,5(2H,4H)-dione |
| Molecular Weight: | 430.42 |
| Molecular Formula: | C22 H18 N6 O4 |
| Smiles: | [H]c1ccc(cc1)N1C(N(C)C(C(c2nc(C(N3CCc4ccccc4C3)=O)on2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.675 |
| logD: | 2.675 |
| logSw: | -2.8045 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 90.27 |
| InChI Key: | XXRCPBNNQOKMRI-UHFFFAOYSA-N |