3-{4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazine-1-carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid
Chemical Structure Depiction of
3-{4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazine-1-carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid
3-{4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazine-1-carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-7963 |
| Compound Name: | 3-{4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazine-1-carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid |
| Molecular Weight: | 448.58 |
| Molecular Formula: | C23 H32 N2 O5 S |
| Smiles: | CC(C)c1ccc(cc1)S(N1CCN(CC1)C(C1C2CCC(CC2)C1C(O)=O)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6198 |
| logD: | 0.9998 |
| logSw: | -3.7837 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.926 |
| InChI Key: | ZYFXMZIMPQIGFU-UHFFFAOYSA-N |