2,3-diethoxy-13-[4-(4-nitrophenyl)piperazine-1-carbonyl]-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Chemical Structure Depiction of
2,3-diethoxy-13-[4-(4-nitrophenyl)piperazine-1-carbonyl]-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
2,3-diethoxy-13-[4-(4-nitrophenyl)piperazine-1-carbonyl]-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Compound characteristics
| Compound ID: | C289-0046 |
| Compound Name: | 2,3-diethoxy-13-[4-(4-nitrophenyl)piperazine-1-carbonyl]-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one |
| Molecular Weight: | 570.65 |
| Molecular Formula: | C32 H34 N4 O6 |
| Smiles: | CCOc1cc2CCN3C(C(C(N4CCN(CC4)c4ccc(cc4)[N+]([O-])=O)=O)c4ccccc4C3=O)c2cc1OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.539 |
| logD: | 3.539 |
| logSw: | -3.7565 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.657 |
| InChI Key: | NLFXDEWIBIYGOP-UHFFFAOYSA-N |