4-{[4-(adamantan-2-yl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol--oxalic acid (1/1)
Chemical Structure Depiction of
4-{[4-(adamantan-2-yl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol--oxalic acid (1/1)
4-{[4-(adamantan-2-yl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4092-0980 |
| Compound Name: | 4-{[4-(adamantan-2-yl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol--oxalic acid (1/1) |
| Molecular Weight: | 476.57 |
| Molecular Formula: | C23 H34 N2 O3 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(CN2CCN(CC2)C2C3CC4CC(C3)CC2C4)cc(c1O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2124 |
| logD: | 1.1373 |
| logSw: | -3.1262 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.576 |
| InChI Key: | FPSITHGDVCVKRU-UHFFFAOYSA-N |