3-[3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-[3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-1lambda~6~-thiolane-1,1-dione
3-[3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | Y041-4937 |
| Compound Name: | 3-[3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 375.44 |
| Molecular Formula: | C18 H21 N3 O4 S |
| Smiles: | C1CS(CC1N1C(CCC(C(N2CCc3ccccc3C2)=O)=N1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5349 |
| logD: | 0.5349 |
| logSw: | -2.0132 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.98 |
| InChI Key: | HUINZRCCKKZTPZ-OAHLLOKOSA-N |