4-[(4-bromo-3-nitrophenyl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-bromo-3-nitrophenyl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(4-bromo-3-nitrophenyl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | Y500-0634 |
| Compound Name: | 4-[(4-bromo-3-nitrophenyl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 432.18 |
| Molecular Formula: | C17 H10 Br N3 O6 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C1=NC(=C/c2ccc(c(c2)[N+]([O-])=O)[Br])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.1363 |
| logD: | 4.1363 |
| logSw: | -4.4433 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.537 |
| InChI Key: | FMPCNDSJPROSQE-UHFFFAOYSA-N |