3-[4-(4-acetylphenyl)piperazine-1-carbonyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[4-(4-acetylphenyl)piperazine-1-carbonyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
3-[4-(4-acetylphenyl)piperazine-1-carbonyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-5282 |
| Compound Name: | 3-[4-(4-acetylphenyl)piperazine-1-carbonyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C22 H26 N2 O4 |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(C1C2CCC(C=C2)C1C(O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0612 |
| logD: | -0.264 |
| logSw: | -2.4261 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.495 |
| InChI Key: | XZTIKHSQHSFZRB-UHFFFAOYSA-N |