(5-bromofuran-2-yl){6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone
Chemical Structure Depiction of
(5-bromofuran-2-yl){6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone
(5-bromofuran-2-yl){6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone
Compound characteristics
| Compound ID: | K407-0184 |
| Compound Name: | (5-bromofuran-2-yl){6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone |
| Molecular Weight: | 517.33 |
| Molecular Formula: | C23 H21 Br N2 O7 |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)[N+]([O-])=O)c2cc1OC)C(c1ccc(o1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1642 |
| logD: | 4.1642 |
| logSw: | -4.2494 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.881 |
| InChI Key: | YQRUDHBCCISPRV-SFHVURJKSA-N |