methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate
methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate
Compound characteristics
| Compound ID: | 4130-5020 |
| Compound Name: | methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate |
| Molecular Weight: | 414.37 |
| Molecular Formula: | C19 H18 N4 O7 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.835 |
| logD: | 2.835 |
| logSw: | -3.2531 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 108.084 |
| InChI Key: | CSSHGFGYIUALFZ-UHFFFAOYSA-N |