tert-butyl 4-[1-(4-nitrophenyl)-4-{[3-(piperidin-1-yl)propyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[1-(4-nitrophenyl)-4-{[3-(piperidin-1-yl)propyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[1-(4-nitrophenyl)-4-{[3-(piperidin-1-yl)propyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-1268 |
| Compound Name: | tert-butyl 4-[1-(4-nitrophenyl)-4-{[3-(piperidin-1-yl)propyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 540.66 |
| Molecular Formula: | C28 H40 N6 O5 |
| Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1ccc(cc1)[N+]([O-])=O)C(NCCCN1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.141 |
| logD: | 2.5448 |
| logSw: | -4.7169 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.762 |
| InChI Key: | YJVUYLFTLRQZLX-UHFFFAOYSA-N |