2-(4-chlorophenoxy)-1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-chlorophenoxy)-1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one
2-(4-chlorophenoxy)-1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | K407-0391 |
| Compound Name: | 2-(4-chlorophenoxy)-1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one |
| Molecular Weight: | 512.95 |
| Molecular Formula: | C26 H25 Cl N2 O7 |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)[N+]([O-])=O)c2cc1OC)C(COc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4891 |
| logD: | 4.4891 |
| logSw: | -4.7112 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.927 |
| InChI Key: | LZTSRZOOASLMGS-QHCPKHFHSA-N |