{4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
{4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0478 |
| Compound Name: | {4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 569.4 |
| Molecular Formula: | C22 H27 Br N2 O5 |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(CN2CCN(CC2)C(c2cc(c(c(c2)OC)OC)OC)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.6192 |
| logD: | 2.6107 |
| logSw: | -2.9717 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.035 |
| InChI Key: | WJQKKQZWFGQCFY-UHFFFAOYSA-N |