1-(4-nitrobenzene-1-sulfonyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-(4-nitrobenzene-1-sulfonyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1)
1-(4-nitrobenzene-1-sulfonyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0090 |
| Compound Name: | 1-(4-nitrobenzene-1-sulfonyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1) |
| Molecular Weight: | 541.53 |
| Molecular Formula: | C20 H25 N3 O7 S |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(CN2CCN(CC2)S(c2ccc(cc2)[N+]([O-])=O)(=O)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.2767 |
| logD: | 1.3817 |
| logSw: | -2.8319 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 91.849 |
| InChI Key: | DWSRTYQFUSHICH-UHFFFAOYSA-N |