tert-butyl 4-{4-[(3-chloro-4-methoxyphenyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{4-[(3-chloro-4-methoxyphenyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{4-[(3-chloro-4-methoxyphenyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-1230 |
| Compound Name: | tert-butyl 4-{4-[(3-chloro-4-methoxyphenyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 556.02 |
| Molecular Formula: | C27 H30 Cl N5 O6 |
| Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1ccc(cc1)[N+]([O-])=O)C(Nc1ccc(c(c1)[Cl])OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3855 |
| logD: | 6.3796 |
| logSw: | -6.2319 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.246 |
| InChI Key: | MJZMZNIUKRCZBX-UHFFFAOYSA-N |