3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Chemical Structure Depiction of
3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y206-3745 |
| Compound Name: | 3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid |
| Molecular Weight: | 331.37 |
| Molecular Formula: | C18 H21 N O5 |
| Smiles: | C1CC2CCC1C(C2C(NCc1ccc2c(c1)OCO2)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2855 |
| logD: | -0.3346 |
| logSw: | -2.6093 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.288 |
| InChI Key: | WXFWUMJWNDKQPQ-UHFFFAOYSA-N |