tert-butyl 4-{4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-1222 |
| Compound Name: | tert-butyl 4-{4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 590.68 |
| Molecular Formula: | C31 H38 N6 O6 |
| Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1ccc(cc1)[N+]([O-])=O)C(N1CCN(CC1)c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8365 |
| logD: | 5.8365 |
| logSw: | -5.3819 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 95.977 |
| InChI Key: | DWQHZNGJSLJNGB-UHFFFAOYSA-N |