(4-nitrophenyl)[4-(propane-1-sulfonyl)piperazin-1-yl]methanone--oxalic acid (1/1)
Chemical Structure Depiction of
(4-nitrophenyl)[4-(propane-1-sulfonyl)piperazin-1-yl]methanone--oxalic acid (1/1)
(4-nitrophenyl)[4-(propane-1-sulfonyl)piperazin-1-yl]methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0850 |
| Compound Name: | (4-nitrophenyl)[4-(propane-1-sulfonyl)piperazin-1-yl]methanone--oxalic acid (1/1) |
| Molecular Weight: | 431.42 |
| Molecular Formula: | C14 H19 N3 O5 S |
| Salt: | HOOCCOOH |
| Smiles: | CCCS(N1CCN(CC1)C(c1ccc(cc1)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0716 |
| logD: | 1.0716 |
| logSw: | -2.2448 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.953 |
| InChI Key: | QLGJOROLZMRFHO-UHFFFAOYSA-N |