tert-butyl 4-[4-{[(4-chlorophenyl)methyl]carbamoyl}-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[4-{[(4-chlorophenyl)methyl]carbamoyl}-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[4-{[(4-chlorophenyl)methyl]carbamoyl}-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-1159 |
| Compound Name: | tert-butyl 4-[4-{[(4-chlorophenyl)methyl]carbamoyl}-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 540.02 |
| Molecular Formula: | C27 H30 Cl N5 O5 |
| Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1ccc(cc1)[N+]([O-])=O)C(NCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4333 |
| logD: | 6.4332 |
| logSw: | -6.1783 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.938 |
| InChI Key: | DKFRIKQXLYIZMH-UHFFFAOYSA-N |