{6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(4-nitrophenyl)methanone
Chemical Structure Depiction of
{6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(4-nitrophenyl)methanone
{6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | K407-0206 |
| Compound Name: | {6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(4-nitrophenyl)methanone |
| Molecular Weight: | 478.5 |
| Molecular Formula: | C26 H26 N2 O7 |
| Smiles: | COc1ccc(cc1)OCC1c2cc(c(cc2CCN1C(c1ccc(cc1)[N+]([O-])=O)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0811 |
| logD: | 4.0811 |
| logSw: | -4.2735 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.499 |
| InChI Key: | XTYGGLVREYDTLP-QHCPKHFHSA-N |