2-{2-[(3-bromophenyl)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-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
Compound characteristics
| Compound ID: | K788-3367 |
| Compound Name: | 2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide |
| Molecular Weight: | 529.5 |
| Molecular Formula: | C25 H29 Br N4 O2 S |
| Smiles: | CN1CCN(CCCNC(CN2C(/C(=C\c3cccc(c3)[Br])Sc3ccccc23)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.3607 |
| logD: | 2.1562 |
| logSw: | -3.7221 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.842 |
| InChI Key: | RFSYBLVZOVDWPW-UHFFFAOYSA-N |