N-(4-{4-[(3-nitrophenyl)methyl]piperazine-1-sulfonyl}phenyl)acetamide--oxalic acid (1/1)
Chemical Structure Depiction of
N-(4-{4-[(3-nitrophenyl)methyl]piperazine-1-sulfonyl}phenyl)acetamide--oxalic acid (1/1)
N-(4-{4-[(3-nitrophenyl)methyl]piperazine-1-sulfonyl}phenyl)acetamide--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0345 |
| Compound Name: | N-(4-{4-[(3-nitrophenyl)methyl]piperazine-1-sulfonyl}phenyl)acetamide--oxalic acid (1/1) |
| Molecular Weight: | 508.5 |
| Molecular Formula: | C19 H22 N4 O5 S |
| Salt: | HOOCCOOH |
| Smiles: | CC(Nc1ccc(cc1)S(N1CCN(CC1)Cc1cccc(c1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7531 |
| logD: | 1.7518 |
| logSw: | -2.6818 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.133 |
| InChI Key: | VSUGWKAUGOKQOF-UHFFFAOYSA-N |