tert-butyl 4-{1-(2,4-difluorophenyl)-4-[(2-fluoro-5-nitrophenyl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{1-(2,4-difluorophenyl)-4-[(2-fluoro-5-nitrophenyl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{1-(2,4-difluorophenyl)-4-[(2-fluoro-5-nitrophenyl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-0770 |
| Compound Name: | tert-butyl 4-{1-(2,4-difluorophenyl)-4-[(2-fluoro-5-nitrophenyl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 545.52 |
| Molecular Formula: | C26 H26 F3 N5 O5 |
| Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1ccc(cc1F)F)C(Nc1cc(ccc1F)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1708 |
| logD: | 5.6 |
| logSw: | -5.3853 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.617 |
| InChI Key: | HEBKMNVVRPOSHF-UHFFFAOYSA-N |