tert-butyl 4-{1-(4-methylphenyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{1-(4-methylphenyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{1-(4-methylphenyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-0249 |
| Compound Name: | tert-butyl 4-{1-(4-methylphenyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 574.68 |
| Molecular Formula: | C31 H38 N6 O5 |
| Smiles: | Cc1ccc(cc1)n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2775 |
| logD: | 6.2775 |
| logSw: | -5.3662 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 88.433 |
| InChI Key: | YJWKJIBBCYMQIW-UHFFFAOYSA-N |