1-[(2,5-dimethoxyphenyl)methyl]-4-(2-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(2,5-dimethoxyphenyl)methyl]-4-(2-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
1-[(2,5-dimethoxyphenyl)methyl]-4-(2-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0016 |
| Compound Name: | 1-[(2,5-dimethoxyphenyl)methyl]-4-(2-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1) |
| Molecular Weight: | 511.51 |
| Molecular Formula: | C19 H23 N3 O6 S |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(c(CN2CCN(CC2)S(c2ccccc2[N+]([O-])=O)(=O)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.3546 |
| logD: | 2.1864 |
| logSw: | -2.7978 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 83.745 |
| InChI Key: | ZQTHBHVBMLOMHK-UHFFFAOYSA-N |