6-[5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-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-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1,2,4-oxadiazol-3-yl]-4-ethyl-2-(4-methylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione
6-[5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1,2,4-oxadiazol-3-yl]-4-ethyl-2-(4-methylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | F486-0969 |
| Compound Name: | 6-[5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1,2,4-oxadiazol-3-yl]-4-ethyl-2-(4-methylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione |
| Molecular Weight: | 458.48 |
| Molecular Formula: | C24 H22 N6 O4 |
| Smiles: | CCN1C(C(c2nc(C(N3CCc4ccccc4C3)=O)on2)=NN(C1=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4385 |
| logD: | 3.4385 |
| logSw: | -3.3196 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 90.229 |
| InChI Key: | OTWPULVYMRCJLR-UHFFFAOYSA-N |