3-[1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl]propyl adamantane-1-carboxylate
Chemical Structure Depiction of
3-[1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl]propyl adamantane-1-carboxylate
3-[1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl]propyl adamantane-1-carboxylate
Compound characteristics
| Compound ID: | 1189-2483 |
| Compound Name: | 3-[1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl]propyl adamantane-1-carboxylate |
| Molecular Weight: | 500.64 |
| Molecular Formula: | C31 H36 N2 O4 |
| Smiles: | C1CCN(CC1)c1ccc2C(N(CCCOC(C34CC5CC(CC(C5)C4)C3)=O)C(c3cccc1c23)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8101 |
| logD: | 6.81 |
| logSw: | -6.5966 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.065 |
| InChI Key: | HRCSOVSNMCFWQU-UHFFFAOYSA-N |