{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(3-nitrophenyl)methanone
Chemical Structure Depiction of
{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(3-nitrophenyl)methanone
{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | K407-0213 |
| Compound Name: | {6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(3-nitrophenyl)methanone |
| Molecular Weight: | 493.47 |
| Molecular Formula: | C25 H23 N3 O8 |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)[N+]([O-])=O)c2cc1OC)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9605 |
| logD: | 3.9605 |
| logSw: | -4.0705 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 105.337 |
| InChI Key: | YXVWUBBGMMPRRP-QFIPXVFZSA-N |