4-[(2,4-dichloroanilino)methylidene]-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2,4-dichloroanilino)methylidene]-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one
4-[(2,4-dichloroanilino)methylidene]-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 2124-0335 |
| Compound Name: | 4-[(2,4-dichloroanilino)methylidene]-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 404.21 |
| Molecular Formula: | C18 H11 Cl2 N3 O4 |
| Smiles: | C(=C/c1cccc(c1)[N+]([O-])=O)\C1=NC(=C\Nc2ccc(cc2[Cl])[Cl])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.8607 |
| logD: | 4.2869 |
| logSw: | -5.1386 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.806 |
| InChI Key: | YQUMZVWNGHPLLP-UHFFFAOYSA-N |