tert-butyl 4-[4-{[(4-methylphenyl)methyl]carbamoyl}-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[4-{[(4-methylphenyl)methyl]carbamoyl}-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[4-{[(4-methylphenyl)methyl]carbamoyl}-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-1177 |
| Compound Name: | tert-butyl 4-[4-{[(4-methylphenyl)methyl]carbamoyl}-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 519.6 |
| Molecular Formula: | C28 H33 N5 O5 |
| Smiles: | Cc1ccc(CNC(c2cnn(c3ccc(cc3)[N+]([O-])=O)c2C2CCN(CC2)C(=O)OC(C)(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.2619 |
| logD: | 6.2619 |
| logSw: | -5.3286 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.938 |
| InChI Key: | MEONOZIIJYZRFZ-UHFFFAOYSA-N |