2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-oxo-2-(4-phenylpiperazin-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-phenylpiperazin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-5930 |
| Compound Name: | 2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 548.44 |
| Molecular Formula: | C28 H26 Br N3 O4 |
| Smiles: | COc1ccc(/C=C2/C(N(CC(N3CCN(CC3)c3ccccc3)=O)c3ccccc3O2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3391 |
| logD: | 4.339 |
| logSw: | -4.4515 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.316 |
| InChI Key: | IZYULNLGBBVJEJ-UHFFFAOYSA-N |