4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-cyclohexyl-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-cyclohexyl-1,3-oxazol-5(4H)-one
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-cyclohexyl-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-0096 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-cyclohexyl-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 299.32 |
| Molecular Formula: | C17 H17 N O4 |
| Smiles: | C1CCC(CC1)C1=NC(=C/c2ccc3c(c2)OCO3)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.7429 |
| logD: | 3.7429 |
| logSw: | -3.9681 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.683 |
| InChI Key: | SPBOXACUMWSUSV-UHFFFAOYSA-N |