ethyl 1-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}piperidine-4-carboxylate
ethyl 1-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | Y502-3417 |
| Compound Name: | ethyl 1-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}piperidine-4-carboxylate |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C21 H26 N4 O5 |
| Smiles: | CCOC(C1CCN(CC1)C(c1ccccc1Cn1c(C)c(c(C)n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2956 |
| logD: | 2.2956 |
| logSw: | -2.7722 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.702 |
| InChI Key: | LSUBQJOCCWMXSM-UHFFFAOYSA-N |