4-[2-(4-methylbenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
Chemical Structure Depiction of
4-[2-(4-methylbenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
4-[2-(4-methylbenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
Compound characteristics
| Compound ID: | F390-0074 |
| Compound Name: | 4-[2-(4-methylbenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C23 H16 N2 O3 S |
| Smiles: | Cc1ccc(cc1)C(C1=CN(c2ccc(C#N)cc2)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5501 |
| logD: | 3.5501 |
| logSw: | -3.8551 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.474 |
| InChI Key: | IDVNQEHWNBDVET-UHFFFAOYSA-N |