2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[(propan-2-yl)oxy]propyl}acetamide
Chemical Structure Depiction of
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[(propan-2-yl)oxy]propyl}acetamide
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[(propan-2-yl)oxy]propyl}acetamide
Compound characteristics
| Compound ID: | K788-0555 |
| Compound Name: | 2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[(propan-2-yl)oxy]propyl}acetamide |
| Molecular Weight: | 473.37 |
| Molecular Formula: | C23 H25 Br N2 O4 |
| Smiles: | CC(C)OCCCNC(CN1C(/C(=C\c2cccc(c2)[Br])Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7879 |
| logD: | 3.7879 |
| logSw: | -3.9719 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.818 |
| InChI Key: | KMAQCSOSJHJAQK-UHFFFAOYSA-N |