2-(2-{4-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(2-{4-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1)
2-(2-{4-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 3343-2994 |
| Compound Name: | 2-(2-{4-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 524.06 |
| Molecular Formula: | C29 H33 N3 O4 |
| Salt: | HCl |
| Smiles: | Cc1ccc(c(C)c1)OCC(CN1CCN(CC1)CCN1C(c2cccc3cccc(C1=O)c23)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3346 |
| logD: | 4.2578 |
| logSw: | -4.6208 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.56 |
| InChI Key: | JFQWGNWPSLXXRJ-QHCPKHFHSA-N |