4-chloro-1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}butan-1-one
Chemical Structure Depiction of
4-chloro-1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}butan-1-one
4-chloro-1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}butan-1-one
Compound characteristics
| Compound ID: | K407-0078 |
| Compound Name: | 4-chloro-1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}butan-1-one |
| Molecular Weight: | 448.9 |
| Molecular Formula: | C22 H25 Cl N2 O6 |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)[N+]([O-])=O)c2cc1OC)C(CCC[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5222 |
| logD: | 3.5222 |
| logSw: | -3.737 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.699 |
| InChI Key: | BQTPDHYJCJZAMH-IBGZPJMESA-N |