2-(2H-1,3-benzodioxol-5-yl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
2-(2H-1,3-benzodioxol-5-yl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 2062-0366 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 338.27 |
| Molecular Formula: | C17 H10 N2 O6 |
| Smiles: | C1Oc2ccc(cc2O1)C1=NC(=C/c2cccc(c2)[N+]([O-])=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.0029 |
| logD: | 3.0029 |
| logSw: | -3.4193 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.873 |
| InChI Key: | GORDUVHNVDGFHV-UHFFFAOYSA-N |