2-(2,4-dichlorophenoxy)-1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one
Chemical Structure Depiction of
2-(2,4-dichlorophenoxy)-1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one
2-(2,4-dichlorophenoxy)-1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | K407-0645 |
| Compound Name: | 2-(2,4-dichlorophenoxy)-1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one |
| Molecular Weight: | 547.39 |
| Molecular Formula: | C26 H24 Cl2 N2 O7 |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)[N+]([O-])=O)c2cc1OC)C(COc1ccc(cc1[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9018 |
| logD: | 4.9018 |
| logSw: | -4.9495 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.013 |
| InChI Key: | NDHLEESQRBSKOS-QFIPXVFZSA-N |