tert-butyl 4-{4-[(4-fluoro-3-nitrophenyl)carbamoyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{4-[(4-fluoro-3-nitrophenyl)carbamoyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{4-[(4-fluoro-3-nitrophenyl)carbamoyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-0487 |
| Compound Name: | tert-butyl 4-{4-[(4-fluoro-3-nitrophenyl)carbamoyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 523.56 |
| Molecular Formula: | C27 H30 F N5 O5 |
| Smiles: | Cc1cccc(c1)n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(Nc1ccc(c(c1)[N+]([O-])=O)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4021 |
| logD: | 5.8939 |
| logSw: | -5.5402 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.315 |
| InChI Key: | BEJBDZCGKKCIRU-UHFFFAOYSA-N |