2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]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-[4-(4-fluorophenyl)piperazin-1-yl]propyl}acetamide
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}acetamide
Compound characteristics
| Compound ID: | K788-5855 |
| Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}acetamide |
| Molecular Weight: | 639.59 |
| Molecular Formula: | C31 H32 Br F N4 O3 S |
| Smiles: | COc1ccc(\C=C2/C(N(CC(NCCCN3CCN(CC3)c3ccc(cc3)F)=O)c3ccccc3S2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.9013 |
| logD: | 4.3151 |
| logSw: | -4.5137 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.256 |
| InChI Key: | SURXACJKVOHVQF-UHFFFAOYSA-N |