2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-{3-[butyl(ethyl)amino]propyl}acetamide
Chemical Structure Depiction of
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-{3-[butyl(ethyl)amino]propyl}acetamide
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-{3-[butyl(ethyl)amino]propyl}acetamide
Compound characteristics
| Compound ID: | K788-5838 |
| Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-{3-[butyl(ethyl)amino]propyl}acetamide |
| Molecular Weight: | 560.55 |
| Molecular Formula: | C27 H34 Br N3 O3 S |
| Smiles: | CCCCN(CC)CCCNC(CN1C(/C(=C\c2ccc(c(c2)[Br])OC)Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9841 |
| logD: | 2.2336 |
| logSw: | -4.3596 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.949 |
| InChI Key: | BBPYEIAHDSWTSZ-UHFFFAOYSA-N |