3-(2-benzoyl-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl)benzonitrile
Chemical Structure Depiction of
3-(2-benzoyl-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl)benzonitrile
3-(2-benzoyl-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl)benzonitrile
Compound characteristics
| Compound ID: | F390-0024 |
| Compound Name: | 3-(2-benzoyl-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl)benzonitrile |
| Molecular Weight: | 386.43 |
| Molecular Formula: | C22 H14 N2 O3 S |
| Smiles: | C1=C(C(c2ccccc2)=O)S(c2ccccc2N1c1cccc(C#N)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0566 |
| logD: | 3.0566 |
| logSw: | -3.6374 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.474 |
| InChI Key: | YFOLENJXWJMRBC-UHFFFAOYSA-N |