2-(4-bromophenyl)-4-[(4-methoxy-2-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-bromophenyl)-4-[(4-methoxy-2-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
2-(4-bromophenyl)-4-[(4-methoxy-2-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 2084-9969 |
| Compound Name: | 2-(4-bromophenyl)-4-[(4-methoxy-2-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 418.2 |
| Molecular Formula: | C17 H12 Br N3 O5 |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)N/C=C1/C(=O)OC(c2ccc(cc2)[Br])=N1 |
| Stereo: | ACHIRAL |
| logP: | 4.1688 |
| logD: | 3.9344 |
| logSw: | -4.4921 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.903 |
| InChI Key: | MCENEZKBYAFPBB-UHFFFAOYSA-N |