2-(2-methyl-3-nitrophenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(2-methyl-3-nitrophenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
2-(2-methyl-3-nitrophenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-1574 |
| Compound Name: | 2-(2-methyl-3-nitrophenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 376.32 |
| Molecular Formula: | C20 H12 N2 O6 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C1=NC(=C\C2=COc3ccccc3C2=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.147 |
| logD: | 3.147 |
| logSw: | -3.8862 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.349 |
| InChI Key: | NDVBCKSUANLBKR-UHFFFAOYSA-N |