1-[(4-ethylphenyl)methyl]-4-(2-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(4-ethylphenyl)methyl]-4-(2-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
1-[(4-ethylphenyl)methyl]-4-(2-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0020 |
| Compound Name: | 1-[(4-ethylphenyl)methyl]-4-(2-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1) |
| Molecular Weight: | 479.51 |
| Molecular Formula: | C19 H23 N3 O4 S |
| Salt: | HOOCCOOH |
| Smiles: | CCc1ccc(CN2CCN(CC2)S(c2ccccc2[N+]([O-])=O)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2004 |
| logD: | 3.177 |
| logSw: | -3.619 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.57 |
| InChI Key: | XXQLYMQJNVIHFC-UHFFFAOYSA-N |