4-[(5-bromo-2-methoxyphenyl)methylidene]-2-(2-methoxy-5-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(5-bromo-2-methoxyphenyl)methylidene]-2-(2-methoxy-5-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(5-bromo-2-methoxyphenyl)methylidene]-2-(2-methoxy-5-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-1408 |
| Compound Name: | 4-[(5-bromo-2-methoxyphenyl)methylidene]-2-(2-methoxy-5-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 433.21 |
| Molecular Formula: | C18 H13 Br N2 O6 |
| Smiles: | COc1ccc(cc1\C=C1/C(=O)OC(c2cc(ccc2OC)[N+]([O-])=O)=N1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.8985 |
| logD: | 3.8985 |
| logSw: | -4.158 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.018 |
| InChI Key: | RDXMOXHXJRNHFC-UHFFFAOYSA-N |