1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0061 |
| Compound Name: | 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1) |
| Molecular Weight: | 560.38 |
| Molecular Formula: | C18 H20 Br N3 O5 S |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(cc1CN1CCN(CC1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.3934 |
| logD: | 3.3862 |
| logSw: | -3.775 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.502 |
| InChI Key: | VATDBXXWOXXILK-UHFFFAOYSA-N |