{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}(4-fluorophenyl)methanone
Chemical Structure Depiction of
{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}(4-fluorophenyl)methanone
{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}(4-fluorophenyl)methanone
Compound characteristics
| Compound ID: | 8014-6509 |
| Compound Name: | {4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}(4-fluorophenyl)methanone |
| Molecular Weight: | 460.51 |
| Molecular Formula: | C26 H25 F N4 O3 |
| Smiles: | C1CN(Cc2ccccc12)c1cc(ccc1[N+]([O-])=O)N1CCN(CC1)C(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4296 |
| logD: | 4.4296 |
| logSw: | -4.5129 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.041 |
| InChI Key: | APYWIVGCSHDTBJ-UHFFFAOYSA-N |