2-[(1-{2-hydroxy-3-[5-methyl-2-(propan-2-yl)phenoxy]propyl}piperidin-4-yl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-[(1-{2-hydroxy-3-[5-methyl-2-(propan-2-yl)phenoxy]propyl}piperidin-4-yl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1)
2-[(1-{2-hydroxy-3-[5-methyl-2-(propan-2-yl)phenoxy]propyl}piperidin-4-yl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 3343-3103 |
| Compound Name: | 2-[(1-{2-hydroxy-3-[5-methyl-2-(propan-2-yl)phenoxy]propyl}piperidin-4-yl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 537.1 |
| Molecular Formula: | C31 H36 N2 O4 |
| Salt: | HCl |
| Smiles: | CC(C)c1ccc(C)cc1OCC(CN1CCC(CC1)CN1C(c2cccc3cccc(C1=O)c23)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2941 |
| logD: | 4.2783 |
| logSw: | -6.377 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.792 |
| InChI Key: | LTIGBEPXXOGOFS-DEOSSOPVSA-N |