1-(4-{[3-(benzyloxy)-4-methoxyphenyl]methyl}piperazin-1-yl)-3-methylbutan-1-one--oxalic acid (1/1)
Chemical Structure Depiction of
1-(4-{[3-(benzyloxy)-4-methoxyphenyl]methyl}piperazin-1-yl)-3-methylbutan-1-one--oxalic acid (1/1)
1-(4-{[3-(benzyloxy)-4-methoxyphenyl]methyl}piperazin-1-yl)-3-methylbutan-1-one--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4092-0503 |
| Compound Name: | 1-(4-{[3-(benzyloxy)-4-methoxyphenyl]methyl}piperazin-1-yl)-3-methylbutan-1-one--oxalic acid (1/1) |
| Molecular Weight: | 486.56 |
| Molecular Formula: | C24 H32 N2 O3 |
| Salt: | HOOCCOOH |
| Smiles: | CC(C)CC(N1CCN(CC1)Cc1ccc(c(c1)OCc1ccccc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2933 |
| logD: | 2.949 |
| logSw: | -3.4796 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.116 |
| InChI Key: | HHWOXXAHNHXMKF-UHFFFAOYSA-N |