2-benzoyl-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Chemical Structure Depiction of
2-benzoyl-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione
2-benzoyl-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | F390-0018 |
| Compound Name: | 2-benzoyl-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C22 H17 N O3 S2 |
| Smiles: | CSc1cccc(c1)N1C=C(C(c2ccccc2)=O)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8106 |
| logD: | 3.8106 |
| logSw: | -4.0673 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.417 |
| InChI Key: | MDLRCXWCYHMDCV-UHFFFAOYSA-N |