3-[4-(5-chlorothiophene-2-sulfonyl)piperazine-1-carbonyl]bicyclo[2.2.2]octane-2-carboxylic acid
Chemical Structure Depiction of
3-[4-(5-chlorothiophene-2-sulfonyl)piperazine-1-carbonyl]bicyclo[2.2.2]octane-2-carboxylic acid
3-[4-(5-chlorothiophene-2-sulfonyl)piperazine-1-carbonyl]bicyclo[2.2.2]octane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-8097 |
| Compound Name: | 3-[4-(5-chlorothiophene-2-sulfonyl)piperazine-1-carbonyl]bicyclo[2.2.2]octane-2-carboxylic acid |
| Molecular Weight: | 446.97 |
| Molecular Formula: | C18 H23 Cl N2 O5 S2 |
| Smiles: | C1CC2CCC1C(C2C(N1CCN(CC1)S(c1ccc(s1)[Cl])(=O)=O)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6634 |
| logD: | 0.0434 |
| logSw: | -3.1374 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.945 |
| InChI Key: | KSZHYBWATBTWMT-UHFFFAOYSA-N |