3-[1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl]propyl benzoate
Chemical Structure Depiction of
3-[1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl]propyl benzoate
3-[1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl]propyl benzoate
Compound characteristics
| Compound ID: | 1189-2456 |
| Compound Name: | 3-[1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl]propyl benzoate |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C27 H26 N2 O4 |
| Smiles: | C1CCN(CC1)c1ccc2C(N(CCCOC(c3ccccc3)=O)C(c3cccc1c23)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5218 |
| logD: | 5.5218 |
| logSw: | -6.235 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.032 |
| InChI Key: | BLKKQXOLGNBLJM-UHFFFAOYSA-N |