(3-methoxyphenyl)[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]methanone--oxalic acid (1/1)
Chemical Structure Depiction of
(3-methoxyphenyl)[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]methanone--oxalic acid (1/1)
(3-methoxyphenyl)[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0630 |
| Compound Name: | (3-methoxyphenyl)[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]methanone--oxalic acid (1/1) |
| Molecular Weight: | 495.46 |
| Molecular Formula: | C18 H19 N3 O6 S |
| Salt: | HOOCCOOH |
| Smiles: | COc1cccc(c1)C(N1CCN(CC1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0684 |
| logD: | 2.0684 |
| logSw: | -2.671 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.331 |
| InChI Key: | JOHSDJCPNUVHSW-UHFFFAOYSA-N |