4-nitrophenyl 4-(N'-nitrocarbamimidoyl)piperazine-1-carboxylate
Chemical Structure Depiction of
4-nitrophenyl 4-(N'-nitrocarbamimidoyl)piperazine-1-carboxylate
4-nitrophenyl 4-(N'-nitrocarbamimidoyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | 8007-3007 |
| Compound Name: | 4-nitrophenyl 4-(N'-nitrocarbamimidoyl)piperazine-1-carboxylate |
| Molecular Weight: | 338.28 |
| Molecular Formula: | C12 H14 N6 O6 |
| Smiles: | C1CN(CCN1C(\N)=N/[N+]([O-])=O)C(=O)Oc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.8222 |
| logD: | 0.5729 |
| logSw: | -1.6215 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 124.347 |
| InChI Key: | UCMQGETTYLSNSU-UHFFFAOYSA-N |