ethyl 4-{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}piperazine-1-carboxylate
ethyl 4-{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | Y502-9846 |
| Compound Name: | ethyl 4-{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}piperazine-1-carboxylate |
| Molecular Weight: | 421.84 |
| Molecular Formula: | C18 H20 Cl N5 O5 |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc(Cn2cc(c(n2)[N+]([O-])=O)[Cl])cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8224 |
| logD: | 1.8224 |
| logSw: | -2.8363 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.263 |
| InChI Key: | XFRJNZRSVUCMPY-UHFFFAOYSA-N |