3-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
Chemical Structure Depiction of
3-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
3-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y206-3640 |
| Compound Name: | 3-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid |
| Molecular Weight: | 331.37 |
| Molecular Formula: | C18 H21 N O5 |
| Smiles: | C1CC2CCC1C(C2C(Nc1ccc2c(c1)OCCO2)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.864 |
| logD: | -0.756 |
| logSw: | -2.3888 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.674 |
| InChI Key: | GELDDCZLWZAGHR-UHFFFAOYSA-N |