2-(3,4-dimethoxyphenyl)-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
2-(3,4-dimethoxyphenyl)-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-1780 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 354.32 |
| Molecular Formula: | C18 H14 N2 O6 |
| Smiles: | COc1ccc(cc1OC)C1=NC(=C\c2ccccc2[N+]([O-])=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 2.6972 |
| logD: | 2.6972 |
| logSw: | -3.3069 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.717 |
| InChI Key: | LIPJMCNQQZNHFI-UHFFFAOYSA-N |