tert-butyl 4-{4-[(2-chloro-4-fluorophenyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{4-[(2-chloro-4-fluorophenyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{4-[(2-chloro-4-fluorophenyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-1226 |
| Compound Name: | tert-butyl 4-{4-[(2-chloro-4-fluorophenyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 543.98 |
| Molecular Formula: | C26 H27 Cl F N5 O5 |
| Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1ccc(cc1)[N+]([O-])=O)C(Nc1ccc(cc1[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5062 |
| logD: | 6.3576 |
| logSw: | -6.2173 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.918 |
| InChI Key: | OUVWKSBYMGIAJF-UHFFFAOYSA-N |