3,4-dimethyl-6-{[2-(methylsulfanyl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
3,4-dimethyl-6-{[2-(methylsulfanyl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
3,4-dimethyl-6-{[2-(methylsulfanyl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-9655 |
| Compound Name: | 3,4-dimethyl-6-{[2-(methylsulfanyl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 319.42 |
| Molecular Formula: | C17 H21 N O3 S |
| Smiles: | CC1CC(C(CC=1C)C(Nc1ccccc1SC)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8472 |
| logD: | 0.4914 |
| logSw: | -3.2794 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.232 |
| InChI Key: | OCBCKOSBGMUYDI-UHFFFAOYSA-N |