2-butyl-2-methyl-5-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-dioxane-4,6-dione
Chemical Structure Depiction of
2-butyl-2-methyl-5-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-dioxane-4,6-dione
2-butyl-2-methyl-5-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-dioxane-4,6-dione
Compound characteristics
Compound ID: | 3553-1793 |
Compound Name: | 2-butyl-2-methyl-5-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-dioxane-4,6-dione |
Molecular Weight: | 320.41 |
Molecular Formula: | C17 H20 O4 S |
Smiles: | CCCCC1(C)OC(C(=Cc2ccc(cc2)SC)C(=O)O1)=O |
Stereo: | ACHIRAL |
logP: | 4.5079 |
logD: | 4.5079 |
logSw: | -4.3798 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 41.833 |
InChI Key: | LHRVKQDDTFWJAV-UHFFFAOYSA-N |