4-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-1,2-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-1,2-oxazol-5(4H)-one
4-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-1,2-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 5408-2320 |
| Compound Name: | 4-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-1,2-oxazol-5(4H)-one |
| Molecular Weight: | 326.14 |
| Molecular Formula: | C13 H12 Br N O4 |
| Smiles: | CCOc1cc(\C=C2/C(C)=NOC2=O)cc(c1O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.6779 |
| logD: | 2.6355 |
| logSw: | -2.5101 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.826 |
| InChI Key: | KMWVKLKQXPVEIU-UHFFFAOYSA-N |