1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]piperazine--oxalic acid (1/1)
1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3702-0689 |
| Compound Name: | 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]piperazine--oxalic acid (1/1) |
| Molecular Weight: | 539.38 |
| Molecular Formula: | C21 H25 Br N2 O4 |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(CN2CCN(CC2)Cc2cc(c3c(c2)OCO3)OC)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.2391 |
| logD: | 0.8682 |
| logSw: | -3.2439 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.572 |
| InChI Key: | ICHNVTCDMFLTLU-UHFFFAOYSA-N |