2-(2-nitrophenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(2-nitrophenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
2-(2-nitrophenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K074-6906 |
| Compound Name: | 2-(2-nitrophenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 362.3 |
| Molecular Formula: | C19 H10 N2 O6 |
| Smiles: | C(\C1=COc2ccccc2C1=O)=C1/C(=O)OC(c2ccccc2[N+]([O-])=O)=N1 |
| Stereo: | ACHIRAL |
| logP: | 2.5063 |
| logD: | 2.5063 |
| logSw: | -3.0124 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.349 |
| InChI Key: | WHJJJXMCYUWVNI-UHFFFAOYSA-N |