3-{4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-{4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
3-{4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-9422 |
| Compound Name: | 3-{4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid |
| Molecular Weight: | 388.89 |
| Molecular Formula: | C21 H25 Cl N2 O3 |
| Smiles: | C1CC2C=CC1C(C2C(N1CCN(CC1)Cc1ccccc1[Cl])=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7165 |
| logD: | 0.3913 |
| logSw: | -3.1214 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.948 |
| InChI Key: | FNLIBPLMOWCQBZ-UHFFFAOYSA-N |