2-(4-methoxybenzoyl)-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Chemical Structure Depiction of
2-(4-methoxybenzoyl)-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione
2-(4-methoxybenzoyl)-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | F390-0115 |
| Compound Name: | 2-(4-methoxybenzoyl)-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C23 H19 N O4 S2 |
| Smiles: | COc1ccc(cc1)C(C1=CN(c2cccc(c2)SC)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.898 |
| logD: | 3.898 |
| logSw: | -4.1905 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.961 |
| InChI Key: | CUJRAFUXCLNVQP-UHFFFAOYSA-N |