2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(4-methylpiperazin-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-methylpiperazin-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-methylpiperazin-1-yl)propyl]acetamide
Compound characteristics
| Compound ID: | K788-5846 |
| Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide |
| Molecular Weight: | 559.52 |
| Molecular Formula: | C26 H31 Br N4 O3 S |
| Smiles: | CN1CCN(CCCNC(CN2C(/C(=C\c3ccc(c(c3)[Br])OC)Sc3ccccc23)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.9334 |
| logD: | 1.7289 |
| logSw: | -3.4712 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.472 |
| InChI Key: | YCJWSUBFABUWET-UHFFFAOYSA-N |