1-[(3-fluorophenyl)methyl]-4-(4-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(3-fluorophenyl)methyl]-4-(4-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
1-[(3-fluorophenyl)methyl]-4-(4-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0094 |
| Compound Name: | 1-[(3-fluorophenyl)methyl]-4-(4-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1) |
| Molecular Weight: | 469.44 |
| Molecular Formula: | C17 H18 F N3 O4 S |
| Salt: | HOOCCOOH |
| Smiles: | C1CN(CCN1Cc1cccc(c1)F)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7375 |
| logD: | 2.7337 |
| logSw: | -3.0938 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.871 |
| InChI Key: | NVLKWIODKRPHMZ-UHFFFAOYSA-N |