4-[(3-chlorophenyl)methyl]-2-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[(3-chlorophenyl)methyl]-2-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
4-[(3-chlorophenyl)methyl]-2-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-8946 |
| Compound Name: | 4-[(3-chlorophenyl)methyl]-2-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 634.12 |
| Molecular Formula: | C34 H27 Cl F3 N3 O2 S |
| Smiles: | C1CN(CCN1C(c1ccc(\C=C2/C(N(Cc3cccc(c3)[Cl])c3ccccc3S2)=O)cc1)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 7.6484 |
| logD: | 7.6484 |
| logSw: | -6.6508 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.978 |
| InChI Key: | HZQCQISEOWIUFG-UHFFFAOYSA-N |