tert-butyl 4-{1-(4-nitrophenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{1-(4-nitrophenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{1-(4-nitrophenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-1260 |
| Compound Name: | tert-butyl 4-{1-(4-nitrophenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 562.63 |
| Molecular Formula: | C28 H34 N8 O5 |
| Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1ccc(cc1)[N+]([O-])=O)C(N1CCN(CC1)c1ncccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8972 |
| logD: | 4.8972 |
| logSw: | -4.4928 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 106.796 |
| InChI Key: | WHQWHPPDZYTTJB-UHFFFAOYSA-N |