cyclohexyl{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone
Chemical Structure Depiction of
cyclohexyl{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone
cyclohexyl{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone
Compound characteristics
| Compound ID: | K407-0233 |
| Compound Name: | cyclohexyl{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone |
| Molecular Weight: | 454.52 |
| Molecular Formula: | C25 H30 N2 O6 |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)[N+]([O-])=O)c2cc1OC)C(C1CCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.498 |
| logD: | 4.498 |
| logSw: | -4.3189 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.147 |
| InChI Key: | VZAJOUAHFWOVDD-QFIPXVFZSA-N |