(adamantan-1-yl){6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone
Chemical Structure Depiction of
(adamantan-1-yl){6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone
(adamantan-1-yl){6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone
Compound characteristics
| Compound ID: | K407-0418 |
| Compound Name: | (adamantan-1-yl){6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone |
| Molecular Weight: | 506.6 |
| Molecular Formula: | C29 H34 N2 O6 |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)[N+]([O-])=O)c2cc1OC)C(C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7853 |
| logD: | 5.7853 |
| logSw: | -5.5286 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.988 |
| InChI Key: | SUHSRYCLHPYZPU-CHYBTZLKSA-N |