2-{2-[(4-methylphenyl)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-[(4-methylphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
2-{2-[(4-methylphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
Compound characteristics
| Compound ID: | C312-0582 |
| Compound Name: | 2-{2-[(4-methylphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide |
| Molecular Weight: | 464.63 |
| Molecular Formula: | C26 H32 N4 O2 S |
| Smiles: | Cc1ccc(\C=C2/C(N(CC(NCCCN3CCN(C)CC3)=O)c3ccccc3S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0018 |
| logD: | 1.7973 |
| logSw: | -3.3961 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.842 |
| InChI Key: | MJBYJSKURRLQNK-UHFFFAOYSA-N |