4-[(4-fluorophenyl)methyl]-2-[(4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}phenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[(4-fluorophenyl)methyl]-2-[(4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}phenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
4-[(4-fluorophenyl)methyl]-2-[(4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}phenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-1822 |
| Compound Name: | 4-[(4-fluorophenyl)methyl]-2-[(4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}phenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 653.77 |
| Molecular Formula: | C37 H36 F N3 O5 S |
| Smiles: | COc1ccc(CN2CCN(CC2)C(c2ccc(/C=C3/C(N(Cc4ccc(cc4)F)c4ccccc4S3)=O)cc2)=O)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 5.8501 |
| logD: | 5.6496 |
| logSw: | -5.625 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.323 |
| InChI Key: | JMRRZXFHDKSDQZ-UHFFFAOYSA-N |