(4-chloro-3-nitrophenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Chemical Structure Depiction of
(4-chloro-3-nitrophenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
(4-chloro-3-nitrophenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Compound characteristics
| Compound ID: | D048-0196 |
| Compound Name: | (4-chloro-3-nitrophenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone |
| Molecular Weight: | 376.79 |
| Molecular Formula: | C18 H17 Cl N2 O5 |
| Smiles: | COc1cc2CCN(Cc2cc1OC)C(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6859 |
| logD: | 2.6859 |
| logSw: | -3.5191 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.89 |
| InChI Key: | NQLAVWOFZXRNAT-UHFFFAOYSA-N |