tert-butyl 4-{1-(3-chloro-4-methylphenyl)-4-[(2,4-dibromophenyl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{1-(3-chloro-4-methylphenyl)-4-[(2,4-dibromophenyl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{1-(3-chloro-4-methylphenyl)-4-[(2,4-dibromophenyl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C614-5271 |
| Compound Name: | tert-butyl 4-{1-(3-chloro-4-methylphenyl)-4-[(2,4-dibromophenyl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 652.81 |
| Molecular Formula: | C27 H29 Br2 Cl N4 O3 |
| Smiles: | Cc1ccc(cc1[Cl])n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(Nc1ccc(cc1[Br])[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 8.4891 |
| logD: | 8.4678 |
| logSw: | -6.5828 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.536 |
| InChI Key: | VHOUWAZOTXBNLS-UHFFFAOYSA-N |