2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-{3-[4-(2-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-(2-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-(2-fluorophenyl)piperazin-1-yl]propyl}acetamide
Compound characteristics
| Compound ID: | K788-5832 |
| Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-{3-[4-(2-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)c3ccccc3F)=O)c3ccccc3S2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.9292 |
| logD: | 4.5979 |
| logSw: | -4.5163 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.955 |
| InChI Key: | HWTJIZBHSANFNM-UHFFFAOYSA-N |