(3-chlorophenyl){6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone
Chemical Structure Depiction of
(3-chlorophenyl){6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone
(3-chlorophenyl){6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone
Compound characteristics
| Compound ID: | K407-0494 |
| Compound Name: | (3-chlorophenyl){6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone |
| Molecular Weight: | 482.92 |
| Molecular Formula: | C25 H23 Cl N2 O6 |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)[N+]([O-])=O)c2cc1OC)C(c1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6774 |
| logD: | 4.6774 |
| logSw: | -4.9279 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.955 |
| InChI Key: | LGUAGQKDKKIEBL-QFIPXVFZSA-N |