tert-butyl 4-{4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-1228 |
| Compound Name: | tert-butyl 4-{4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 570.05 |
| Molecular Formula: | C28 H32 Cl N5 O6 |
| Smiles: | Cc1cc(c(cc1[Cl])OC)NC(c1cnn(c2ccc(cc2)[N+]([O-])=O)c1C1CCN(CC1)C(=O)OC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 7.024 |
| logD: | 6.9835 |
| logSw: | -6.4354 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.548 |
| InChI Key: | WEHIZNKWRMKVBQ-UHFFFAOYSA-N |