3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1(2H)-one
3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C138-0607 |
| Compound Name: | 3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 548.57 |
| Molecular Formula: | C29 H29 F N4 O6 |
| Smiles: | CN1C(C(C(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)c2cc(c(cc2C1=O)OC)OC)c1ccccc1F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5082 |
| logD: | 3.5082 |
| logSw: | -3.8037 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.239 |
| InChI Key: | KIQLHDPUDBRFAI-UHFFFAOYSA-N |