N-[2-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(4-phenoxyphenyl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-[2-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(4-phenoxyphenyl)adamantane-1-carboxamide
N-[2-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(4-phenoxyphenyl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | 0389-0713 |
| Compound Name: | N-[2-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(4-phenoxyphenyl)adamantane-1-carboxamide |
| Molecular Weight: | 649.59 |
| Molecular Formula: | C37 H33 Br N2 O4 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)C(N(CCN1C(c2cccc3c(ccc(C1=O)c23)[Br])=O)c1ccc(cc1)Oc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 9.1031 |
| logD: | 9.1031 |
| logSw: | -6.7673 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.214 |
| InChI Key: | BSTHJEZSYQUHKD-UHFFFAOYSA-N |