4-[(2-bromo-4,5-dichloroanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2-bromo-4,5-dichloroanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(2-bromo-4,5-dichloroanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0174 |
| Compound Name: | 4-[(2-bromo-4,5-dichloroanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 457.06 |
| Molecular Formula: | C16 H8 Br Cl2 N3 O4 |
| Smiles: | C(=C1/C(=O)OC(c2ccc(cc2)[N+]([O-])=O)=N1)\Nc1cc(c(cc1[Br])[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8976 |
| logD: | 4.4012 |
| logSw: | -5.2789 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.66 |
| InChI Key: | SOMWEHSRUOVQSK-UHFFFAOYSA-N |