4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-methoxy-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-methoxy-3-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-methoxy-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 2113-0159 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-methoxy-3-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 368.3 |
| Molecular Formula: | C18 H12 N2 O7 |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C1=NC(=C/c2ccc3c(c2)OCO3)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 2.6675 |
| logD: | 2.6675 |
| logSw: | -3.1271 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.202 |
| InChI Key: | FFODDADRXSJLOL-UHFFFAOYSA-N |