tert-butyl 4-{4-[(4-fluoro-3-nitrophenyl)carbamoyl]-1-(3-fluorophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{4-[(4-fluoro-3-nitrophenyl)carbamoyl]-1-(3-fluorophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{4-[(4-fluoro-3-nitrophenyl)carbamoyl]-1-(3-fluorophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-1623 |
| Compound Name: | tert-butyl 4-{4-[(4-fluoro-3-nitrophenyl)carbamoyl]-1-(3-fluorophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 527.53 |
| Molecular Formula: | C26 H27 F2 N5 O5 |
| Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1cccc(c1)F)C(Nc1ccc(c(c1)[N+]([O-])=O)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9792 |
| logD: | 5.471 |
| logSw: | -5.4048 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.315 |
| InChI Key: | JTMHEXVJKXZTKS-UHFFFAOYSA-N |