tert-butyl 4-{4-[(3-chloro-4-methylphenyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{4-[(3-chloro-4-methylphenyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{4-[(3-chloro-4-methylphenyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C614-5475 |
| Compound Name: | tert-butyl 4-{4-[(3-chloro-4-methylphenyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 540.02 |
| Molecular Formula: | C27 H30 Cl N5 O5 |
| Smiles: | Cc1ccc(cc1[Cl])NC(c1cnn(c2ccc(cc2)[N+]([O-])=O)c1C1CCN(CC1)C(=O)OC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2651 |
| logD: | 7.2614 |
| logSw: | -6.438 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.616 |
| InChI Key: | SOOZBRWATTVPFP-UHFFFAOYSA-N |