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 |