2-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethylidene}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethylidene}-2H-1,4-benzothiazin-3(4H)-one
2-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethylidene}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C306-0568 |
| Compound Name: | 2-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethylidene}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C20 H18 N4 O4 S |
| Smiles: | C1CN(CCN1C(/C=C1/C(Nc2ccccc2S1)=O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8728 |
| logD: | 2.8728 |
| logSw: | -3.5094 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.879 |
| InChI Key: | ZMCMNKNJVUOUTP-UHFFFAOYSA-N |