2-benzylidene-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-benzylidene-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one
2-benzylidene-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-1065 |
| Compound Name: | 2-benzylidene-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 500.58 |
| Molecular Formula: | C27 H24 N4 O4 S |
| Smiles: | C1CN(CCN1C(CN1C(/C(=C/c2ccccc2)Sc2ccccc12)=O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6659 |
| logD: | 4.6659 |
| logSw: | -4.5834 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.104 |
| InChI Key: | SBGCDOKKXJDQIB-UHFFFAOYSA-N |