2-{[2-(methylsulfanyl)phenyl]carbamoyl}cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
2-{[2-(methylsulfanyl)phenyl]carbamoyl}cyclohexane-1-carboxylic acid
2-{[2-(methylsulfanyl)phenyl]carbamoyl}cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-9905 |
| Compound Name: | 2-{[2-(methylsulfanyl)phenyl]carbamoyl}cyclohexane-1-carboxylic acid |
| Molecular Weight: | 293.38 |
| Molecular Formula: | C15 H19 N O3 S |
| Smiles: | CSc1ccccc1NC(C1CCCCC1C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5511 |
| logD: | -0.0996 |
| logSw: | -2.8759 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.232 |
| InChI Key: | XHSFYCNMOXUNPJ-UHFFFAOYSA-N |