2-(3,4-dimethoxybenzoyl)-6-fluoro-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Chemical Structure Depiction of
2-(3,4-dimethoxybenzoyl)-6-fluoro-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione
2-(3,4-dimethoxybenzoyl)-6-fluoro-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | F390-0596 |
| Compound Name: | 2-(3,4-dimethoxybenzoyl)-6-fluoro-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione |
| Molecular Weight: | 485.55 |
| Molecular Formula: | C24 H20 F N O5 S2 |
| Smiles: | COc1ccc(cc1OC)C(C1=CN(c2cccc(c2)SC)c2cc(ccc2S1(=O)=O)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8598 |
| logD: | 3.8598 |
| logSw: | -4.2624 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.678 |
| InChI Key: | ZQCUCIIWMSNYLV-UHFFFAOYSA-N |