2-[(3-bromo-4-methoxyphenyl)methylidene]-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-[(3-bromo-4-methoxyphenyl)methylidene]-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
2-[(3-bromo-4-methoxyphenyl)methylidene]-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-5912 |
| Compound Name: | 2-[(3-bromo-4-methoxyphenyl)methylidene]-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 550.41 |
| Molecular Formula: | C26 H24 Br N5 O4 |
| Smiles: | COc1ccc(/C=C2/C(N(CC(N3CCN(CC3)c3ncccn3)=O)c3ccccc3O2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.5037 |
| logD: | 3.5037 |
| logSw: | -3.7939 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.678 |
| InChI Key: | HEOSNZDUSGPFAW-UHFFFAOYSA-N |