3-{[2-(methylsulfanyl)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Chemical Structure Depiction of
3-{[2-(methylsulfanyl)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
3-{[2-(methylsulfanyl)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-9634 |
| Compound Name: | 3-{[2-(methylsulfanyl)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid |
| Molecular Weight: | 319.42 |
| Molecular Formula: | C17 H21 N O3 S |
| Smiles: | CSc1ccccc1NC(C1C2CCC(CC2)C1C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2456 |
| logD: | 0.6256 |
| logSw: | -3.4425 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.153 |
| InChI Key: | LKLDANCDBVFSSK-UHFFFAOYSA-N |