2-benzylidene-4-[(4-fluorophenyl)methyl]-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-benzylidene-4-[(4-fluorophenyl)methyl]-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-2H-1,4-benzothiazin-3(4H)-one
2-benzylidene-4-[(4-fluorophenyl)methyl]-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-8719 |
| Compound Name: | 2-benzylidene-4-[(4-fluorophenyl)methyl]-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 617.67 |
| Molecular Formula: | C34 H27 F4 N3 O2 S |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(/C(=C/c1ccccc1)S2)=O)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 7.0398 |
| logD: | 7.0398 |
| logSw: | -6.3959 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.978 |
| InChI Key: | NYVAARJXBTVZFD-UHFFFAOYSA-N |