4-[(2,4-dimethylanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2,4-dimethylanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(2,4-dimethylanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
Compound ID: | K091-0169 |
Compound Name: | 4-[(2,4-dimethylanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one |
Molecular Weight: | 337.33 |
Molecular Formula: | C18 H15 N3 O4 |
Smiles: | Cc1ccc(c(C)c1)N\C=C1/C(=O)OC(c2ccc(cc2)[N+]([O-])=O)=N1 |
Stereo: | ACHIRAL |
logP: | 3.7431 |
logD: | 3.7428 |
logSw: | -3.9719 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 74.66 |
InChI Key: | PFAUPPIPCFWYGB-UHFFFAOYSA-N |