2-(3-methoxyphenyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-(3-methoxyphenyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
2-(3-methoxyphenyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-2081 |
| Compound Name: | 2-(3-methoxyphenyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one |
| Molecular Weight: | 484.51 |
| Molecular Formula: | C27 H24 N4 O5 |
| Smiles: | COc1cccc(c1)N1C=C(C(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.614 |
| logD: | 3.614 |
| logSw: | -3.9155 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.588 |
| InChI Key: | RTKJRVKBZPHFBI-UHFFFAOYSA-N |