(4-chloro-3-nitrophenyl){6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone
Chemical Structure Depiction of
(4-chloro-3-nitrophenyl){6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone
(4-chloro-3-nitrophenyl){6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone
Compound characteristics
| Compound ID: | K407-0465 |
| Compound Name: | (4-chloro-3-nitrophenyl){6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone |
| Molecular Weight: | 527.92 |
| Molecular Formula: | C25 H22 Cl N3 O8 |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)[N+]([O-])=O)c2cc1OC)C(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2297 |
| logD: | 4.2297 |
| logSw: | -4.646 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 105.036 |
| InChI Key: | RMWGTUBYDWHNAB-QFIPXVFZSA-N |