1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(3-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(3-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(3-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0774 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(3-nitrophenyl)methyl]piperazine--oxalic acid (1/1) |
| Molecular Weight: | 445.43 |
| Molecular Formula: | C19 H21 N3 O4 |
| Salt: | HOOCCOOH |
| Smiles: | C1CN(CCN1Cc1cccc(c1)[N+]([O-])=O)Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.6767 |
| logD: | 1.7054 |
| logSw: | -2.7802 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.008 |
| InChI Key: | IMEHRNXVSBPIER-UHFFFAOYSA-N |