2-(2,4-dimethylbenzoyl)-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Chemical Structure Depiction of
2-(2,4-dimethylbenzoyl)-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione
2-(2,4-dimethylbenzoyl)-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | F390-0208 |
| Compound Name: | 2-(2,4-dimethylbenzoyl)-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione |
| Molecular Weight: | 435.56 |
| Molecular Formula: | C24 H21 N O3 S2 |
| Smiles: | Cc1ccc(C(C2=CN(c3cccc(c3)SC)c3ccccc3S2(=O)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7924 |
| logD: | 4.7924 |
| logSw: | -4.6293 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.417 |
| InChI Key: | QTQGWMLKESJHEE-UHFFFAOYSA-N |