2-(2-methoxy-5-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(2-methoxy-5-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
2-(2-methoxy-5-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-1397 |
| Compound Name: | 2-(2-methoxy-5-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 369.29 |
| Molecular Formula: | C17 H11 N3 O7 |
| Smiles: | COc1ccc(cc1C1=NC(=C\c2ccc(cc2)[N+]([O-])=O)\C(=O)O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9052 |
| logD: | 2.9052 |
| logSw: | -3.5921 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 104.769 |
| InChI Key: | KQMLNSFIZGBRRJ-UHFFFAOYSA-N |