4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 2124-0401 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 338.27 |
| Molecular Formula: | C17 H10 N2 O6 |
| Smiles: | C1Oc2ccc(\C=C3/C(=O)OC(c4cccc(c4)[N+]([O-])=O)=N3)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 3.1147 |
| logD: | 3.1147 |
| logSw: | -3.4782 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.873 |
| InChI Key: | GAEGSIBZVNWECD-UHFFFAOYSA-N |