2-({1-[3-(4-chlorophenoxy)-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-chlorophenoxy)-2-hydroxypropyl]piperidin-4-yl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1)
2-({1-[3-(4-chlorophenoxy)-2-hydroxypropyl]piperidin-4-yl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 3343-3104 |
| Compound Name: | 2-({1-[3-(4-chlorophenoxy)-2-hydroxypropyl]piperidin-4-yl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 515.44 |
| Molecular Formula: | C27 H27 Cl N2 O4 |
| Salt: | HCl |
| Smiles: | C1CN(CCC1CN1C(c2cccc3cccc(C1=O)c23)=O)CC(COc1ccc(cc1)[Cl])O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9829 |
| logD: | 2.9672 |
| logSw: | -5.042 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.705 |
| InChI Key: | XYHMTVQUVLZAAP-NRFANRHFSA-N |