3-[2-(2,4-dimethylbenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
Chemical Structure Depiction of
3-[2-(2,4-dimethylbenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
3-[2-(2,4-dimethylbenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
Compound characteristics
| Compound ID: | F390-0214 |
| Compound Name: | 3-[2-(2,4-dimethylbenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C24 H18 N2 O3 S |
| Smiles: | Cc1ccc(C(C2=CN(c3cccc(C#N)c3)c3ccccc3S2(=O)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.0384 |
| logD: | 4.0384 |
| logSw: | -4.1827 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.474 |
| InChI Key: | YAIYMEQUIZOONS-UHFFFAOYSA-N |