2-[(1-{3-[(4-chlorophenyl)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-[(4-chlorophenyl)methoxy]-2-hydroxypropyl}piperidin-4-yl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1)
2-[(1-{3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl}piperidin-4-yl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 3343-3035 |
| Compound Name: | 2-[(1-{3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl}piperidin-4-yl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 529.46 |
| Molecular Formula: | C28 H29 Cl N2 O4 |
| Salt: | HCl |
| Smiles: | C1CN(CCC1CN1C(c2cccc3cccc(C1=O)c23)=O)CC(COCc1ccc(cc1)[Cl])O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7536 |
| logD: | 2.7085 |
| logSw: | -4.9917 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.64 |
| InChI Key: | MKDLEBQTQGVVMI-QHCPKHFHSA-N |