2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[(oxolan-2-yl)methyl]acetamide
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | K788-5945 |
| Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 487.35 |
| Molecular Formula: | C23 H23 Br N2 O5 |
| Smiles: | COc1ccc(/C=C2/C(N(CC(NCC3CCCO3)=O)c3ccccc3O2)=O)cc1[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8086 |
| logD: | 2.8086 |
| logSw: | -3.4209 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.789 |
| InChI Key: | LKNXDZBHRMTUCQ-MRXNPFEDSA-N |