tert-butyl 4-{4-[(2-methoxy-5-nitrophenyl)carbamoyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{4-[(2-methoxy-5-nitrophenyl)carbamoyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{4-[(2-methoxy-5-nitrophenyl)carbamoyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-0207 |
| Compound Name: | tert-butyl 4-{4-[(2-methoxy-5-nitrophenyl)carbamoyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 535.6 |
| Molecular Formula: | C28 H33 N5 O6 |
| Smiles: | Cc1ccc(cc1)n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(Nc1cc(ccc1OC)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1624 |
| logD: | 5.8633 |
| logSw: | -5.302 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.548 |
| InChI Key: | CDBYSYPECASUKC-UHFFFAOYSA-N |