1-[(2-methylphenyl)methyl]-4-(2-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(2-methylphenyl)methyl]-4-(2-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
1-[(2-methylphenyl)methyl]-4-(2-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0031 |
| Compound Name: | 1-[(2-methylphenyl)methyl]-4-(2-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1) |
| Molecular Weight: | 465.48 |
| Molecular Formula: | C18 H21 N3 O4 S |
| Salt: | HOOCCOOH |
| Smiles: | Cc1ccccc1CN1CCN(CC1)S(c1ccccc1[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0424 |
| logD: | 3.0382 |
| logSw: | -3.3362 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.57 |
| InChI Key: | MVXGLLXPGVVVAM-UHFFFAOYSA-N |