2-{(2E)-2-[(3-bromo-4-methoxyphenyl)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-bromo-4-methoxyphenyl)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-bromo-4-methoxyphenyl)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: | K788-5812 |
| Compound Name: | 2-{(2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide |
| Molecular Weight: | 572.56 |
| Molecular Formula: | C28 H34 Br N3 O3 S |
| Smiles: | CC1CC(C)CN(CCCNC(CN2C(/C(=C\c3ccc(c(c3)[Br])OC)Sc3ccccc23)=O)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9666 |
| logD: | 2.3618 |
| logSw: | -4.4291 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.862 |
| InChI Key: | TUQKECMBHOQBBQ-UHFFFAOYSA-N |