2-[2-(4-{2-hydroxy-3-[2-(prop-2-en-1-yl)phenoxy]propyl}piperazin-1-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-[2-(4-{2-hydroxy-3-[2-(prop-2-en-1-yl)phenoxy]propyl}piperazin-1-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1)
2-[2-(4-{2-hydroxy-3-[2-(prop-2-en-1-yl)phenoxy]propyl}piperazin-1-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 3343-3123 |
| Compound Name: | 2-[2-(4-{2-hydroxy-3-[2-(prop-2-en-1-yl)phenoxy]propyl}piperazin-1-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 536.07 |
| Molecular Formula: | C30 H33 N3 O4 |
| Salt: | HCl |
| Smiles: | C=CCc1ccccc1OCC(CN1CCN(CC1)CCN1C(c2cccc3cccc(C1=O)c23)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2248 |
| logD: | 4.148 |
| logSw: | -4.5186 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.56 |
| InChI Key: | YRMGKUZRKWDWIE-DEOSSOPVSA-N |