4-[(4-bromothiophen-2-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-bromothiophen-2-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
4-[(4-bromothiophen-2-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K074-0848 |
| Compound Name: | 4-[(4-bromothiophen-2-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 424.27 |
| Molecular Formula: | C17 H14 Br N O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1=NC(=C/c2cc(cs2)[Br])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.5059 |
| logD: | 3.5059 |
| logSw: | -3.9343 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.372 |
| InChI Key: | DYTJVGVTVKHXNN-UHFFFAOYSA-N |