2-[(3-chlorophenyl)methylidene]-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-[(3-chlorophenyl)methylidene]-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one
2-[(3-chlorophenyl)methylidene]-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-1433 |
| Compound Name: | 2-[(3-chlorophenyl)methylidene]-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 535.02 |
| Molecular Formula: | C27 H23 Cl N4 O4 S |
| Smiles: | C1CN(CCN1C(CN1C(/C(=C/c2cccc(c2)[Cl])Sc2ccccc12)=O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2005 |
| logD: | 5.2005 |
| logSw: | -5.6084 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.104 |
| InChI Key: | JPUKQJXWICHOFI-UHFFFAOYSA-N |