1-[(3-nitrophenyl)methyl]-4-(propane-1-sulfonyl)piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(3-nitrophenyl)methyl]-4-(propane-1-sulfonyl)piperazine--oxalic acid (1/1)
1-[(3-nitrophenyl)methyl]-4-(propane-1-sulfonyl)piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0398 |
| Compound Name: | 1-[(3-nitrophenyl)methyl]-4-(propane-1-sulfonyl)piperazine--oxalic acid (1/1) |
| Molecular Weight: | 417.44 |
| Molecular Formula: | C14 H21 N3 O4 S |
| Salt: | HOOCCOOH |
| Smiles: | CCCS(N1CCN(CC1)Cc1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5332 |
| logD: | 1.5322 |
| logSw: | -2.2107 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.037 |
| InChI Key: | DOLNWLSVGFBVME-UHFFFAOYSA-N |