4-[(3,4-dimethoxyphenyl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(3,4-dimethoxyphenyl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(3,4-dimethoxyphenyl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
Compound ID: | K074-6552 |
Compound Name: | 4-[(3,4-dimethoxyphenyl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one |
Molecular Weight: | 354.32 |
Molecular Formula: | C18 H14 N2 O6 |
Smiles: | COc1ccc(\C=C2/C(=O)OC(c3ccc(cc3)[N+]([O-])=O)=N2)cc1OC |
Stereo: | ACHIRAL |
logP: | 2.8221 |
logD: | 2.8221 |
logSw: | -3.4796 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 79.018 |
InChI Key: | ZRFWFMCSJCCNQW-UHFFFAOYSA-N |