2-benzylidene-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-benzylidene-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-2H-1,4-benzothiazin-3(4H)-one
2-benzylidene-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-9534 |
| Compound Name: | 2-benzylidene-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 509.55 |
| Molecular Formula: | C27 H22 F3 N3 O2 S |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)NC(/C(=C/c1ccccc1)S2)=O)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.348 |
| logD: | 5.348 |
| logSw: | -5.9134 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.753 |
| InChI Key: | HVPUCWFAADSLBB-UHFFFAOYSA-N |