3-methyl-1-{4-[(3-phenoxyphenyl)methyl]piperazin-1-yl}butan-1-one--oxalic acid (1/1)
Chemical Structure Depiction of
3-methyl-1-{4-[(3-phenoxyphenyl)methyl]piperazin-1-yl}butan-1-one--oxalic acid (1/1)
3-methyl-1-{4-[(3-phenoxyphenyl)methyl]piperazin-1-yl}butan-1-one--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4092-0401 |
| Compound Name: | 3-methyl-1-{4-[(3-phenoxyphenyl)methyl]piperazin-1-yl}butan-1-one--oxalic acid (1/1) |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C22 H28 N2 O2 |
| Salt: | HOOCCOOH |
| Smiles: | CC(C)CC(N1CCN(CC1)Cc1cccc(c1)Oc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0573 |
| logD: | 3.9557 |
| logSw: | -4.19 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.9191 |
| InChI Key: | RMRBOEMPBQDORV-UHFFFAOYSA-N |