{4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl}(3-methoxyphenyl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl}(3-methoxyphenyl)methanone--oxalic acid (1/1)
{4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl}(3-methoxyphenyl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3701-0416 |
| Compound Name: | {4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl}(3-methoxyphenyl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 509.35 |
| Molecular Formula: | C20 H23 Br N2 O3 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cccc(c1)C(N1CCN(CC1)Cc1ccc(c(c1)[Br])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8822 |
| logD: | 2.8737 |
| logSw: | -3.1022 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.601 |
| InChI Key: | TZYUYERHFYTFIK-UHFFFAOYSA-N |