2-cyclohexyl-1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one
Chemical Structure Depiction of
2-cyclohexyl-1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one
2-cyclohexyl-1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | K407-0411 |
| Compound Name: | 2-cyclohexyl-1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one |
| Molecular Weight: | 468.55 |
| Molecular Formula: | C26 H32 N2 O6 |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)[N+]([O-])=O)c2cc1OC)C(CC1CCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9958 |
| logD: | 4.9958 |
| logSw: | -4.6334 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.62 |
| InChI Key: | OEWLETFHPZWJQP-QHCPKHFHSA-N |