tert-butyl 4-[4-{[3-(4-methylpiperidin-1-yl)propyl]carbamoyl}-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[4-{[3-(4-methylpiperidin-1-yl)propyl]carbamoyl}-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[4-{[3-(4-methylpiperidin-1-yl)propyl]carbamoyl}-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-1266 |
| Compound Name: | tert-butyl 4-[4-{[3-(4-methylpiperidin-1-yl)propyl]carbamoyl}-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 554.69 |
| Molecular Formula: | C29 H42 N6 O5 |
| Smiles: | CC1CCN(CCCNC(c2cnn(c3ccc(cc3)[N+]([O-])=O)c2C2CCN(CC2)C(=O)OC(C)(C)C)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.5316 |
| logD: | 3.0713 |
| logSw: | -5.1236 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.762 |
| InChI Key: | YGXOBLDFIUEJSP-UHFFFAOYSA-N |