N-{4-[4-(3-nitrobenzoyl)piperazine-1-sulfonyl]phenyl}acetamide--oxalic acid (1/1)
Chemical Structure Depiction of
N-{4-[4-(3-nitrobenzoyl)piperazine-1-sulfonyl]phenyl}acetamide--oxalic acid (1/1)
N-{4-[4-(3-nitrobenzoyl)piperazine-1-sulfonyl]phenyl}acetamide--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0802 |
| Compound Name: | N-{4-[4-(3-nitrobenzoyl)piperazine-1-sulfonyl]phenyl}acetamide--oxalic acid (1/1) |
| Molecular Weight: | 522.49 |
| Molecular Formula: | C19 H20 N4 O6 S |
| Salt: | HOOCCOOH |
| Smiles: | CC(Nc1ccc(cc1)S(N1CCN(CC1)C(c1cccc(c1)[N+]([O-])=O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2277 |
| logD: | 1.2273 |
| logSw: | -2.5573 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.049 |
| InChI Key: | IFSXGAUJHXJNOF-UHFFFAOYSA-N |