2-{(2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-(2,3-dimethylcyclohexyl)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-(2,3-dimethylcyclohexyl)acetamide
2-{(2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-(2,3-dimethylcyclohexyl)acetamide
Compound characteristics
| Compound ID: | K788-5843 |
| Compound Name: | 2-{(2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-(2,3-dimethylcyclohexyl)acetamide |
| Molecular Weight: | 529.5 |
| Molecular Formula: | C26 H29 Br N2 O3 S |
| Smiles: | CC1CCCC(C1C)NC(CN1C(/C(=C\c2ccc(c(c2)[Br])OC)Sc2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3465 |
| logD: | 5.3465 |
| logSw: | -5.1958 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.287 |
| InChI Key: | RMTXMQLICXVYJK-UHFFFAOYSA-N |