4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-2116 |
| Compound Name: | 4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 568.57 |
| Molecular Formula: | C28 H23 F3 N4 O4 S |
| Smiles: | C1CN(CCN1C(CN1C(/C(=C/c2ccc(cc2)C(F)(F)F)Sc2ccccc12)=O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5343 |
| logD: | 5.5343 |
| logSw: | -5.8917 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.104 |
| InChI Key: | OAZXZGWDUZEOCG-UHFFFAOYSA-N |