4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5(4H)-one
4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 5548-0162 |
| Compound Name: | 4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5(4H)-one |
| Molecular Weight: | 354.2 |
| Molecular Formula: | C15 H16 Br N O4 |
| Smiles: | CCOc1cc(/C=C2/C(C)=NOC2=O)cc(c1OCC)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.2656 |
| logD: | 3.2656 |
| logSw: | -3.2364 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.643 |
| InChI Key: | IOCDDIXQYPIUNC-UHFFFAOYSA-N |