4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-1550 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 352.3 |
| Molecular Formula: | C18 H12 N2 O6 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C1=NC(=C\c2ccc3c(c2)OCO3)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.377 |
| logD: | 3.377 |
| logSw: | -4.0312 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.572 |
| InChI Key: | QXSDFTYKGLXJBR-UHFFFAOYSA-N |