3-[2-(4-ethoxybenzoyl)-6-fluoro-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
Chemical Structure Depiction of
3-[2-(4-ethoxybenzoyl)-6-fluoro-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
3-[2-(4-ethoxybenzoyl)-6-fluoro-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
Compound characteristics
| Compound ID: | F390-0522 |
| Compound Name: | 3-[2-(4-ethoxybenzoyl)-6-fluoro-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile |
| Molecular Weight: | 448.47 |
| Molecular Formula: | C24 H17 F N2 O4 S |
| Smiles: | CCOc1ccc(cc1)C(C1=CN(c2cccc(C#N)c2)c2cc(ccc2S1(=O)=O)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7982 |
| logD: | 3.7982 |
| logSw: | -4.0463 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.597 |
| InChI Key: | ZMUANVQANQSPJG-UHFFFAOYSA-N |