3-methyl-1-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]butan-1-one--oxalic acid (1/1)
Chemical Structure Depiction of
3-methyl-1-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]butan-1-one--oxalic acid (1/1)
3-methyl-1-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]butan-1-one--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0624 |
| Compound Name: | 3-methyl-1-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]butan-1-one--oxalic acid (1/1) |
| Molecular Weight: | 445.45 |
| Molecular Formula: | C15 H21 N3 O5 S |
| Salt: | HOOCCOOH |
| Smiles: | CC(C)CC(N1CCN(CC1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0514 |
| logD: | 2.0514 |
| logSw: | -2.5893 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.531 |
| InChI Key: | JAEQNPWWRSPDCF-UHFFFAOYSA-N |