{4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
{4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | Y511-2494 |
| Compound Name: | {4-[(5-bromo-2-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(cc1CN1CCN(CC1)C(c1cc(c(c(c1)OC)OC)OC)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.911 |
| logD: | 2.895 |
| logSw: | -3.159 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.04 |
| InChI Key: | IYCYBLFNKNAFPC-UHFFFAOYSA-N |