2-({1-[3-(2,5-dimethylphenoxy)-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-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-yl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1)
2-({1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-yl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 3343-3113 |
| Compound Name: | 2-({1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-yl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 509.05 |
| Molecular Formula: | C29 H32 N2 O4 |
| Salt: | HCl |
| Smiles: | Cc1ccc(C)c(c1)OCC(CN1CCC(CC1)CN1C(c2cccc3cccc(C1=O)c23)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4351 |
| logD: | 3.4193 |
| logSw: | -6.1568 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.792 |
| InChI Key: | YJOMFNKGKHAQLT-QHCPKHFHSA-N |