1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0986 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine--oxalic acid (1/1) |
| Molecular Weight: | 505.48 |
| Molecular Formula: | C21 H25 N3 O6 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)c(cc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.566 |
| logD: | 1.5947 |
| logSw: | -2.7358 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.968 |
| InChI Key: | GMIBJSJTHQLYJJ-UHFFFAOYSA-N |