2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
Chemical Structure Depiction of
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
Compound characteristics
| Compound ID: | K788-0562 |
| Compound Name: | 2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide |
| Molecular Weight: | 512.45 |
| Molecular Formula: | C26 H30 Br N3 O3 |
| Smiles: | CC1CCN(CCCNC(CN2C(/C(=C\c3cccc(c3)[Br])Oc3ccccc23)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.3147 |
| logD: | 1.7965 |
| logSw: | -4.2063 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.328 |
| InChI Key: | GEVIQLLCTQFRTR-UHFFFAOYSA-N |