{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}(4-methylphenyl)methanone
Chemical Structure Depiction of
{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}(4-methylphenyl)methanone
{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}(4-methylphenyl)methanone
Compound characteristics
| Compound ID: | 5789-0306 |
| Compound Name: | {4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}(4-methylphenyl)methanone |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C27 H28 N4 O3 |
| Smiles: | Cc1ccc(cc1)C(N1CCN(CC1)c1ccc(c(c1)N1CCc2ccccc2C1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8239 |
| logD: | 4.8239 |
| logSw: | -4.6334 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.041 |
| InChI Key: | BPQUBVPQESFQKJ-UHFFFAOYSA-N |