tert-butyl 4-{4-[(4-bromo-3-methylphenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{4-[(4-bromo-3-methylphenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{4-[(4-bromo-3-methylphenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C429-0584 |
| Compound Name: | tert-butyl 4-{4-[(4-bromo-3-methylphenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 539.47 |
| Molecular Formula: | C27 H31 Br N4 O3 |
| Smiles: | Cc1cc(ccc1[Br])NC(c1cnn(c2ccccc2)c1C1CCN(CC1)C(=O)OC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0022 |
| logD: | 7.0007 |
| logSw: | -5.4995 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.234 |
| InChI Key: | PPLOCPQIDQGQOH-UHFFFAOYSA-N |