2-{(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
Chemical Structure Depiction of
2-{(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
2-{(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
Compound characteristics
| Compound ID: | K788-0556 |
| Compound Name: | 2-{(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide |
| Molecular Weight: | 526.47 |
| Molecular Formula: | C27 H32 Br N3 O3 |
| Smiles: | CC1CC(C)CN(CCCNC(CN2C(/C(=C\c3cccc(c3)[Br])Oc3ccccc23)=O)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7636 |
| logD: | 2.1588 |
| logSw: | -4.4082 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.195 |
| InChI Key: | YDXRWCZUMZYBSW-UHFFFAOYSA-N |