tert-butyl 4-{4-[(2-chloro-4-fluorophenyl)carbamoyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{4-[(2-chloro-4-fluorophenyl)carbamoyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{4-[(2-chloro-4-fluorophenyl)carbamoyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-0516 |
| Compound Name: | tert-butyl 4-{4-[(2-chloro-4-fluorophenyl)carbamoyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 513.01 |
| Molecular Formula: | C27 H30 Cl F N4 O3 |
| Smiles: | Cc1cccc(c1)n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(Nc1ccc(cc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 7.074 |
| logD: | 6.9253 |
| logSw: | -6.3509 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.536 |
| InChI Key: | KHSRXTWDZFJDKK-UHFFFAOYSA-N |