2-[(4-methylphenyl)methylidene]-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-[(4-methylphenyl)methylidene]-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one
2-[(4-methylphenyl)methylidene]-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-1046 |
| Compound Name: | 2-[(4-methylphenyl)methylidene]-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 514.6 |
| Molecular Formula: | C28 H26 N4 O4 S |
| Smiles: | Cc1ccc(/C=C2/C(N(CC(N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)=O)c3ccccc3S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.085 |
| logD: | 5.085 |
| logSw: | -4.8431 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.104 |
| InChI Key: | LXYVPBKREPHIEC-UHFFFAOYSA-N |