1-benzyl-4-(4-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-benzyl-4-(4-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
1-benzyl-4-(4-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0060 |
| Compound Name: | 1-benzyl-4-(4-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1) |
| Molecular Weight: | 451.45 |
| Molecular Formula: | C17 H19 N3 O4 S |
| Salt: | HOOCCOOH |
| Smiles: | C1CN(CCN1Cc1ccccc1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6154 |
| logD: | 2.6085 |
| logSw: | -2.8821 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.871 |
| InChI Key: | WCINJEJRWDCPBM-UHFFFAOYSA-N |