2-ethyl-6,7-dimethoxy-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-ethyl-6,7-dimethoxy-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
2-ethyl-6,7-dimethoxy-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C168-0193 |
| Compound Name: | 2-ethyl-6,7-dimethoxy-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one |
| Molecular Weight: | 466.49 |
| Molecular Formula: | C24 H26 N4 O6 |
| Smiles: | CCN1C=C(C(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.6688 |
| logD: | 2.6688 |
| logSw: | -2.9315 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.747 |
| InChI Key: | OTFKLQBGWKACRO-UHFFFAOYSA-N |