3-[2-(4-chlorobenzoyl)-6-fluoro-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
Chemical Structure Depiction of
3-[2-(4-chlorobenzoyl)-6-fluoro-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
3-[2-(4-chlorobenzoyl)-6-fluoro-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
Compound characteristics
| Compound ID: | F390-0435 |
| Compound Name: | 3-[2-(4-chlorobenzoyl)-6-fluoro-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile |
| Molecular Weight: | 438.86 |
| Molecular Formula: | C22 H12 Cl F N2 O3 S |
| Smiles: | C1=C(C(c2ccc(cc2)[Cl])=O)S(c2ccc(cc2N1c1cccc(C#N)c1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0239 |
| logD: | 4.0239 |
| logSw: | -4.6008 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.474 |
| InChI Key: | DWMDGFJNEUAEOW-UHFFFAOYSA-N |