tert-butyl 4-{4-[(3-chloro-4-fluorophenyl)carbamoyl]-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{4-[(3-chloro-4-fluorophenyl)carbamoyl]-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{4-[(3-chloro-4-fluorophenyl)carbamoyl]-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C614-0854 |
| Compound Name: | tert-butyl 4-{4-[(3-chloro-4-fluorophenyl)carbamoyl]-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 527.04 |
| Molecular Formula: | C28 H32 Cl F N4 O3 |
| Smiles: | Cc1ccc(cc1C)n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 7.8068 |
| logD: | 7.66 |
| logSw: | -6.5403 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.234 |
| InChI Key: | OKKPRLXICZEORO-UHFFFAOYSA-N |