1-[(3-methylphenyl)methyl]-4-(4-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(3-methylphenyl)methyl]-4-(4-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
1-[(3-methylphenyl)methyl]-4-(4-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0085 |
| Compound Name: | 1-[(3-methylphenyl)methyl]-4-(4-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1) |
| Molecular Weight: | 465.48 |
| Molecular Formula: | C18 H21 N3 O4 S |
| Salt: | HOOCCOOH |
| Smiles: | Cc1cccc(CN2CCN(CC2)S(c2ccc(cc2)[N+]([O-])=O)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.262 |
| logD: | 3.248 |
| logSw: | -3.4713 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.871 |
| InChI Key: | DZVUQQFETFIWIS-UHFFFAOYSA-N |