4-[(2-bromo-4-methylanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2-bromo-4-methylanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(2-bromo-4-methylanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0165 |
| Compound Name: | 4-[(2-bromo-4-methylanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 402.2 |
| Molecular Formula: | C17 H12 Br N3 O4 |
| Smiles: | Cc1ccc(c(c1)[Br])N\C=C1/C(=O)OC(c2ccc(cc2)[N+]([O-])=O)=N1 |
| Stereo: | ACHIRAL |
| logP: | 3.9589 |
| logD: | 3.9586 |
| logSw: | -4.08 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.66 |
| InChI Key: | ZHOFHRIZTWEBDZ-UHFFFAOYSA-N |