4-[2-(4-chlorobenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
Chemical Structure Depiction of
4-[2-(4-chlorobenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
4-[2-(4-chlorobenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
Compound characteristics
| Compound ID: | F390-0168 |
| Compound Name: | 4-[2-(4-chlorobenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile |
| Molecular Weight: | 420.87 |
| Molecular Formula: | C22 H13 Cl N2 O3 S |
| Smiles: | C1=C(C(c2ccc(cc2)[Cl])=O)S(c2ccccc2N1c1ccc(C#N)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7214 |
| logD: | 3.7214 |
| logSw: | -4.4643 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.474 |
| InChI Key: | NSUTXDFNERITSX-UHFFFAOYSA-N |