{4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}(2,3-dimethoxyphenyl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}(2,3-dimethoxyphenyl)methanone--oxalic acid (1/1)
{4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}(2,3-dimethoxyphenyl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | Y511-2481 |
| Compound Name: | {4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}(2,3-dimethoxyphenyl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 539.38 |
| Molecular Formula: | C21 H25 Br N2 O4 |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(cc1CN1CCN(CC1)C(c1cccc(c1OC)OC)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.184 |
| logD: | 3.167 |
| logSw: | -3.359 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.41 |
| InChI Key: | RWYUQTMLUXKGET-UHFFFAOYSA-N |