1-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-phenoxyethan-1-one--oxalic acid (1/1)
Chemical Structure Depiction of
1-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-phenoxyethan-1-one--oxalic acid (1/1)
1-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-phenoxyethan-1-one--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0625 |
| Compound Name: | 1-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-phenoxyethan-1-one--oxalic acid (1/1) |
| Molecular Weight: | 495.46 |
| Molecular Formula: | C18 H19 N3 O6 S |
| Salt: | HOOCCOOH |
| Smiles: | C1CN(CCN1C(COc1ccccc1)=O)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.843 |
| logD: | 1.843 |
| logSw: | -2.4465 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 88.759 |
| InChI Key: | PTYRPRWKYHSUBJ-UHFFFAOYSA-N |