tert-butyl 4-[4-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[4-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[4-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-1216 |
| Compound Name: | tert-butyl 4-[4-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 563.61 |
| Molecular Formula: | C29 H33 N5 O7 |
| Smiles: | CCOC(c1ccccc1NC(c1cnn(c2ccc(cc2)[N+]([O-])=O)c1C1CCN(CC1)C(=O)OC(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3413 |
| logD: | 6.1148 |
| logSw: | -5.3951 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.672 |
| InChI Key: | JRQPEUWYGSBPME-UHFFFAOYSA-N |