3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-7-(propan-2-ylidene)bicyclo[2.2.1]heptane-2-carboxylic acid
Chemical Structure Depiction of
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-7-(propan-2-ylidene)bicyclo[2.2.1]heptane-2-carboxylic acid
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-7-(propan-2-ylidene)bicyclo[2.2.1]heptane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-5786 |
| Compound Name: | 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-7-(propan-2-ylidene)bicyclo[2.2.1]heptane-2-carboxylic acid |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C24 H30 N2 O5 |
| Smiles: | CC(C)=C1C2CCC1C(C2C(O)=O)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1273 |
| logD: | 2.1273 |
| logSw: | -2.7647 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.796 |
| InChI Key: | YWBPPUGIRVBOCM-UHFFFAOYSA-N |