2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(4-chlorophenyl)ethyl]acetamide
Chemical Structure Depiction of
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(4-chlorophenyl)ethyl]acetamide
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(4-chlorophenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K788-0550 |
| Compound Name: | 2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(4-chlorophenyl)ethyl]acetamide |
| Molecular Weight: | 511.8 |
| Molecular Formula: | C25 H20 Br Cl N2 O3 |
| Smiles: | C(CNC(CN1C(/C(=C\c2cccc(c2)[Br])Oc2ccccc12)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1499 |
| logD: | 5.1499 |
| logSw: | -5.7018 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.346 |
| InChI Key: | DNIOERVZRMISPF-UHFFFAOYSA-N |