1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0003 |
| Compound Name: | 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2-nitrobenzene-1-sulfonyl)piperazine--oxalic acid (1/1) |
| Molecular Weight: | 525.53 |
| Molecular Formula: | C20 H25 N3 O6 S |
| Salt: | HOOCCOOH |
| Smiles: | CCOc1ccc(CN2CCN(CC2)S(c2ccccc2[N+]([O-])=O)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.1883 |
| logD: | 2.0932 |
| logSw: | -2.5863 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 83.411 |
| InChI Key: | FRYDJWOHRVNEIQ-UHFFFAOYSA-N |