3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid
Chemical Structure Depiction of
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y206-4126 |
| Compound Name: | 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C21 H26 N2 O5 |
| Smiles: | C1CC2CC1C(C2C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6207 |
| logD: | 1.6207 |
| logSw: | -1.9522 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.796 |
| InChI Key: | WGOLIZUAAFLXMG-UHFFFAOYSA-N |