(3,5-dimethoxyphenyl)(4-{[2-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
(3,5-dimethoxyphenyl)(4-{[2-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)methanone--oxalic acid (1/1)
(3,5-dimethoxyphenyl)(4-{[2-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4092-0468 |
| Compound Name: | (3,5-dimethoxyphenyl)(4-{[2-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 498.45 |
| Molecular Formula: | C21 H23 F3 N2 O3 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(cc(c1)OC)C(N1CCN(CC1)Cc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5531 |
| logD: | 3.5515 |
| logSw: | -3.7747 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.515 |
| InChI Key: | JYZGTYPWUNFLRA-UHFFFAOYSA-N |