4-(4-benzoylpiperazin-1-yl)-3,5-dinitrobenzoic acid
Chemical Structure Depiction of
4-(4-benzoylpiperazin-1-yl)-3,5-dinitrobenzoic acid
4-(4-benzoylpiperazin-1-yl)-3,5-dinitrobenzoic acid
Compound characteristics
| Compound ID: | 8019-3835 |
| Compound Name: | 4-(4-benzoylpiperazin-1-yl)-3,5-dinitrobenzoic acid |
| Molecular Weight: | 400.35 |
| Molecular Formula: | C18 H16 N4 O7 |
| Smiles: | C1CN(CCN1C(c1ccccc1)=O)c1c(cc(cc1[N+]([O-])=O)C(O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0257 |
| logD: | -0.219 |
| logSw: | -3.5606 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.115 |
| InChI Key: | KZZADLHUBJJCSO-UHFFFAOYSA-N |