1-{[3-(benzyloxy)-4-methoxyphenyl]methyl}-4-(2-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-{[3-(benzyloxy)-4-methoxyphenyl]methyl}-4-(2-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
1-{[3-(benzyloxy)-4-methoxyphenyl]methyl}-4-(2-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0046 |
| Compound Name: | 1-{[3-(benzyloxy)-4-methoxyphenyl]methyl}-4-(2-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1) |
| Molecular Weight: | 587.6 |
| Molecular Formula: | C25 H27 N3 O6 S |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(CN2CCN(CC2)S(c2ccccc2[N+]([O-])=O)(=O)=O)cc1OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1837 |
| logD: | 3.0886 |
| logSw: | -3.5786 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 83.515 |
| InChI Key: | IXTHRXDHLWJNDG-UHFFFAOYSA-N |