{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(2-methyl-3-nitrophenyl)methanone
Chemical Structure Depiction of
{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(2-methyl-3-nitrophenyl)methanone
{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(2-methyl-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | K407-0316 |
| Compound Name: | {6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(2-methyl-3-nitrophenyl)methanone |
| Molecular Weight: | 507.5 |
| Molecular Formula: | C26 H25 N3 O8 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(N1CCc2cc(c(cc2C1COc1ccc(cc1)[N+]([O-])=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.411 |
| logD: | 4.411 |
| logSw: | -4.4351 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 105.036 |
| InChI Key: | YFBYMUIPPCGIRI-QHCPKHFHSA-N |