2-(4-methylbenzoyl)-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Chemical Structure Depiction of
2-(4-methylbenzoyl)-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione
2-(4-methylbenzoyl)-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | F390-0067 |
| Compound Name: | 2-(4-methylbenzoyl)-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C23 H19 N O3 S2 |
| Smiles: | Cc1ccc(cc1)C(C1=CN(c2cccc(c2)SC)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.339 |
| logD: | 4.339 |
| logSw: | -4.4439 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.417 |
| InChI Key: | JRXGMABSLHJFSH-UHFFFAOYSA-N |