2,6-dimethoxy-4-{[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]methyl}phenol--oxalic acid (1/1)
Chemical Structure Depiction of
2,6-dimethoxy-4-{[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]methyl}phenol--oxalic acid (1/1)
2,6-dimethoxy-4-{[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]methyl}phenol--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0097 |
| Compound Name: | 2,6-dimethoxy-4-{[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]methyl}phenol--oxalic acid (1/1) |
| Molecular Weight: | 527.51 |
| Molecular Formula: | C19 H23 N3 O7 S |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(CN2CCN(CC2)S(c2ccc(cc2)[N+]([O-])=O)(=O)=O)cc(c1O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.5802 |
| logD: | 0.6851 |
| logSw: | -2.3592 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.611 |
| InChI Key: | QRRANPUQPFQOEZ-UHFFFAOYSA-N |