2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl (benzoylsulfanyl)acetate
Chemical Structure Depiction of
2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl (benzoylsulfanyl)acetate
2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl (benzoylsulfanyl)acetate
Compound characteristics
| Compound ID: | 8010-0201 |
| Compound Name: | 2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl (benzoylsulfanyl)acetate |
| Molecular Weight: | 392.51 |
| Molecular Formula: | C21 H28 O5 S |
| Smiles: | CC1CCC(C(C)C)C(C1)OC(COC(CSC(c1ccccc1)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3263 |
| logD: | 5.3263 |
| logSw: | -5.3037 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 53.477 |
| InChI Key: | ZAIHFUDRYXAKFW-UHFFFAOYSA-N |