tert-butyl 4-[4-{[4-(cyanomethyl)phenyl]carbamoyl}-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[4-{[4-(cyanomethyl)phenyl]carbamoyl}-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[4-{[4-(cyanomethyl)phenyl]carbamoyl}-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-1146 |
| Compound Name: | tert-butyl 4-[4-{[4-(cyanomethyl)phenyl]carbamoyl}-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 530.58 |
| Molecular Formula: | C28 H30 N6 O5 |
| Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1ccc(cc1)[N+]([O-])=O)C(Nc1ccc(CC#N)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3074 |
| logD: | 5.3074 |
| logSw: | -5.1198 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.108 |
| InChI Key: | ZXISWNAPUNMUPW-UHFFFAOYSA-N |