(3-fluorophenyl)[4-(2-nitrobenzene-1-sulfonyl)piperazin-1-yl]methanone--oxalic acid (1/1)
Chemical Structure Depiction of
(3-fluorophenyl)[4-(2-nitrobenzene-1-sulfonyl)piperazin-1-yl]methanone--oxalic acid (1/1)
(3-fluorophenyl)[4-(2-nitrobenzene-1-sulfonyl)piperazin-1-yl]methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0590 |
| Compound Name: | (3-fluorophenyl)[4-(2-nitrobenzene-1-sulfonyl)piperazin-1-yl]methanone--oxalic acid (1/1) |
| Molecular Weight: | 483.43 |
| Molecular Formula: | C17 H16 F N3 O5 S |
| Salt: | HOOCCOOH |
| Smiles: | C1CN(CCN1C(c1cccc(c1)F)=O)S(c1ccccc1[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7834 |
| logD: | 1.7834 |
| logSw: | -2.5237 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.486 |
| InChI Key: | DLRAORKSQWDQNY-UHFFFAOYSA-N |