1-[(4-ethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(4-ethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
1-[(4-ethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4262-0062 |
| Compound Name: | 1-[(4-ethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine--oxalic acid (1/1) |
| Molecular Weight: | 445.47 |
| Molecular Formula: | C20 H25 N3 O3 |
| Salt: | HOOCCOOH |
| Smiles: | CCOc1ccc(CN2CCN(CC2)Cc2ccccc2[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3264 |
| logD: | 3.2128 |
| logSw: | -3.4197 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.716 |
| InChI Key: | PDBWAAKKLMOQKG-UHFFFAOYSA-N |