4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-[4-(4-ethylcyclohexyl)phenyl]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-[4-(4-ethylcyclohexyl)phenyl]-1,3-oxazol-5(4H)-one
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-[4-(4-ethylcyclohexyl)phenyl]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-1076 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-[4-(4-ethylcyclohexyl)phenyl]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C25 H25 N O4 |
| Smiles: | CCC1CCC(CC1)c1ccc(cc1)C1=NC(=C\c2ccc3c(c2)OCO3)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 6.5969 |
| logD: | 6.5969 |
| logSw: | -5.7757 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.412 |
| InChI Key: | YXIAXFHYTYBATP-UHFFFAOYSA-N |