4-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5(4H)-one
4-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 4338-1209 |
| Compound Name: | 4-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5(4H)-one |
| Molecular Weight: | 326.14 |
| Molecular Formula: | C13 H12 Br N O4 |
| Smiles: | CC1/C(=C\c2cc(c(c(c2)[Br])OC)OC)C(=O)ON=1 |
| Stereo: | ACHIRAL |
| logP: | 2.5601 |
| logD: | 2.5601 |
| logSw: | -2.5779 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.484 |
| InChI Key: | MFNANUQTKJCHCC-UHFFFAOYSA-N |