3-[4-(2,5-dimethylbenzene-1-sulfonyl)piperazine-1-carbonyl]bicyclo[2.2.2]octane-2-carboxylic acid
Chemical Structure Depiction of
3-[4-(2,5-dimethylbenzene-1-sulfonyl)piperazine-1-carbonyl]bicyclo[2.2.2]octane-2-carboxylic acid
3-[4-(2,5-dimethylbenzene-1-sulfonyl)piperazine-1-carbonyl]bicyclo[2.2.2]octane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-7961 |
| Compound Name: | 3-[4-(2,5-dimethylbenzene-1-sulfonyl)piperazine-1-carbonyl]bicyclo[2.2.2]octane-2-carboxylic acid |
| Molecular Weight: | 434.55 |
| Molecular Formula: | C22 H30 N2 O5 S |
| Smiles: | Cc1ccc(C)c(c1)S(N1CCN(CC1)C(C1C2CCC(CC2)C1C(O)=O)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0417 |
| logD: | 0.4217 |
| logSw: | -2.9107 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.926 |
| InChI Key: | YSSHBUWXFBVHDW-UHFFFAOYSA-N |