1-(4-nitrobenzene-1-sulfonyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-(4-nitrobenzene-1-sulfonyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1)
1-(4-nitrobenzene-1-sulfonyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0089 |
| Compound Name: | 1-(4-nitrobenzene-1-sulfonyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1) |
| Molecular Weight: | 541.53 |
| Molecular Formula: | C20 H25 N3 O7 S |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(c(cc1CN1CCN(CC1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.3476 |
| logD: | 2.2475 |
| logSw: | -2.7517 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 91.763 |
| InChI Key: | SFNLSVQGCYJQFM-UHFFFAOYSA-N |