4-[(2,4-dibromoanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2,4-dibromoanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(2,4-dibromoanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
Compound ID: | K091-0175 |
Compound Name: | 4-[(2,4-dibromoanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one |
Molecular Weight: | 467.07 |
Molecular Formula: | C16 H9 Br2 N3 O4 |
Smiles: | C(=C1/C(=O)OC(c2ccc(cc2)[N+]([O-])=O)=N1)/Nc1ccc(cc1[Br])[Br] |
Stereo: | ACHIRAL |
logP: | 4.2694 |
logD: | 4.2573 |
logSw: | -4.5746 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 74.66 |
InChI Key: | OWPWXOVEZBFHGD-UHFFFAOYSA-N |