tert-butyl 4-{4-[(4-bromo-3-methylphenyl)carbamoyl]-1-(3-chloro-4-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{4-[(4-bromo-3-methylphenyl)carbamoyl]-1-(3-chloro-4-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{4-[(4-bromo-3-methylphenyl)carbamoyl]-1-(3-chloro-4-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C614-5236 |
| Compound Name: | tert-butyl 4-{4-[(4-bromo-3-methylphenyl)carbamoyl]-1-(3-chloro-4-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 587.94 |
| Molecular Formula: | C28 H32 Br Cl N4 O3 |
| Smiles: | Cc1ccc(cc1[Cl])n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(Nc1ccc(c(C)c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 8.3736 |
| logD: | 8.3721 |
| logSw: | -6.552 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.234 |
| InChI Key: | GBYNAQNYMINFPQ-UHFFFAOYSA-N |