2-butyl-5-[(1H-indol-3-yl)methylidene]-2-methyl-1,3-dioxane-4,6-dione
Chemical Structure Depiction of
2-butyl-5-[(1H-indol-3-yl)methylidene]-2-methyl-1,3-dioxane-4,6-dione
2-butyl-5-[(1H-indol-3-yl)methylidene]-2-methyl-1,3-dioxane-4,6-dione
Compound characteristics
| Compound ID: | 5650-0560 |
| Compound Name: | 2-butyl-5-[(1H-indol-3-yl)methylidene]-2-methyl-1,3-dioxane-4,6-dione |
| Molecular Weight: | 313.35 |
| Molecular Formula: | C18 H19 N O4 |
| Smiles: | CCCCC1(C)OC(C(=Cc2c[nH]c3ccccc23)C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.858 |
| logD: | 3.858 |
| logSw: | -4.0105 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.704 |
| InChI Key: | HJWUIOACGTYYDR-UHFFFAOYSA-N |