N-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-N-(2-methoxyphenyl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-N-(2-methoxyphenyl)adamantane-1-carboxamide
N-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-N-(2-methoxyphenyl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | 0423-0417 |
| Compound Name: | N-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-N-(2-methoxyphenyl)adamantane-1-carboxamide |
| Molecular Weight: | 522.64 |
| Molecular Formula: | C33 H34 N2 O4 |
| Smiles: | COc1ccccc1N(CCCN1C(c2cccc3cccc(C1=O)c23)=O)C(C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6802 |
| logD: | 6.6802 |
| logSw: | -6.5234 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.796 |
| InChI Key: | ABCQQUYELWLNHC-UHFFFAOYSA-N |