4-[(4-iodo-2-methylanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-iodo-2-methylanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(4-iodo-2-methylanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0170 |
| Compound Name: | 4-[(4-iodo-2-methylanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 449.2 |
| Molecular Formula: | C17 H12 I N3 O4 |
| Smiles: | Cc1cc(ccc1N\C=C1/C(=O)OC(c2ccc(cc2)[N+]([O-])=O)=N1)I |
| Stereo: | ACHIRAL |
| logP: | 4.6377 |
| logD: | 4.6354 |
| logSw: | -4.5484 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.66 |
| InChI Key: | MTLWNRJTRWNTOM-UHFFFAOYSA-N |