{4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}(3,5-dimethoxyphenyl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}(3,5-dimethoxyphenyl)methanone--oxalic acid (1/1)
{4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}(3,5-dimethoxyphenyl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4964-1918 |
| Compound Name: | {4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}(3,5-dimethoxyphenyl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 539.38 |
| Molecular Formula: | C21 H25 Br N2 O4 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(cc(c1)OC)C(N1CCN(CC1)Cc1cc(ccc1OC)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.396 |
| logD: | 3.3797 |
| logSw: | -3.502 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.145 |
| InChI Key: | WTYYLRQZLXPSLL-UHFFFAOYSA-N |