tert-butyl 4-{4-[(4-fluoro-3-nitrophenyl)carbamoyl]-1-(4-methoxyphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{4-[(4-fluoro-3-nitrophenyl)carbamoyl]-1-(4-methoxyphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{4-[(4-fluoro-3-nitrophenyl)carbamoyl]-1-(4-methoxyphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-1055 |
| Compound Name: | tert-butyl 4-{4-[(4-fluoro-3-nitrophenyl)carbamoyl]-1-(4-methoxyphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 539.56 |
| Molecular Formula: | C27 H30 F N5 O6 |
| Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1ccc(cc1)OC)C(Nc1ccc(c(c1)[N+]([O-])=O)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8911 |
| logD: | 5.3829 |
| logSw: | -5.396 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.859 |
| InChI Key: | QSNASLAXIOBOLO-UHFFFAOYSA-N |