1-[(2-ethoxyphenyl)methyl]-4-(2-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(2-ethoxyphenyl)methyl]-4-(2-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
1-[(2-ethoxyphenyl)methyl]-4-(2-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0018 |
| Compound Name: | 1-[(2-ethoxyphenyl)methyl]-4-(2-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1) |
| Molecular Weight: | 495.51 |
| Molecular Formula: | C19 H23 N3 O5 S |
| Salt: | HOOCCOOH |
| Smiles: | CCOc1ccccc1CN1CCN(CC1)S(c1ccccc1[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7639 |
| logD: | 2.7272 |
| logSw: | -3.2911 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.781 |
| InChI Key: | CKYMMJFQJKKGPS-UHFFFAOYSA-N |