2-[(1-{3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methoxy]-2-hydroxypropyl}piperidin-4-yl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-[(1-{3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methoxy]-2-hydroxypropyl}piperidin-4-yl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1)
2-[(1-{3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methoxy]-2-hydroxypropyl}piperidin-4-yl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 3343-3114 |
| Compound Name: | 2-[(1-{3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methoxy]-2-hydroxypropyl}piperidin-4-yl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 553.06 |
| Molecular Formula: | C30 H32 N2 O6 |
| Salt: | HCl |
| Smiles: | C1CN(CCC1CN1C(c2cccc3cccc(C1=O)c23)=O)CC(COCC1COc2ccccc2O1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8233 |
| logD: | 1.7156 |
| logSw: | -4.2104 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.32 |
| InChI Key: | XFQSJPBOBXUDHK-UHFFFAOYSA-N |