2-[(4-methylphenyl)methylidene]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
2-[(4-methylphenyl)methylidene]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
2-[(4-methylphenyl)methylidene]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | C700-0849 |
| Compound Name: | 2-[(4-methylphenyl)methylidene]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 450.6 |
| Molecular Formula: | C25 H30 N4 O2 S |
| Smiles: | Cc1ccc(\C=C2/C(Nc3cc(ccc3S2)C(NCCCN2CCN(C)CC2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1088 |
| logD: | 1.9585 |
| logSw: | -3.3247 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.558 |
| InChI Key: | NQGUWLBXBPWJCJ-UHFFFAOYSA-N |