2-{(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-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-benzothiazin-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-benzothiazin-4-yl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
Compound characteristics
| Compound ID: | K788-3328 |
| Compound Name: | 2-{(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide |
| Molecular Weight: | 542.54 |
| Molecular Formula: | C27 H32 Br N3 O2 S |
| Smiles: | CC1CC(C)CN(CCCNC(CN2C(/C(=C\c3cccc(c3)[Br])Sc3ccccc23)=O)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3939 |
| logD: | 2.7891 |
| logSw: | -5.1786 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.232 |
| InChI Key: | VFDAXEAIYIKFRI-UHFFFAOYSA-N |