4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-butoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-butoxyphenyl)-1,3-oxazol-5(4H)-one
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-butoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 2165-0962 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-butoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 365.38 |
| Molecular Formula: | C21 H19 N O5 |
| Smiles: | CCCCOc1ccc(cc1)C1=NC(=C/c2ccc3c(c2)OCO3)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.627 |
| logD: | 4.627 |
| logSw: | -4.4623 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.909 |
| InChI Key: | LRRJZLBHTYPFPG-UHFFFAOYSA-N |