ethyl 4-[5-(3,4-dihydroisoquinolin-2(1H)-yl)-4-fluoro-2-nitrophenyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[5-(3,4-dihydroisoquinolin-2(1H)-yl)-4-fluoro-2-nitrophenyl]piperazine-1-carboxylate
ethyl 4-[5-(3,4-dihydroisoquinolin-2(1H)-yl)-4-fluoro-2-nitrophenyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | 8016-9247 |
| Compound Name: | ethyl 4-[5-(3,4-dihydroisoquinolin-2(1H)-yl)-4-fluoro-2-nitrophenyl]piperazine-1-carboxylate |
| Molecular Weight: | 428.46 |
| Molecular Formula: | C22 H25 F N4 O4 |
| Smiles: | CCOC(N1CCN(CC1)c1cc(c(cc1[N+]([O-])=O)F)N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2774 |
| logD: | 4.2774 |
| logSw: | -4.3018 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.064 |
| InChI Key: | MKVPCRMOXIVQKM-UHFFFAOYSA-N |