methyl (6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate
Chemical Structure Depiction of
methyl (6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate
methyl (6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate
Compound characteristics
| Compound ID: | E786-1163 |
| Compound Name: | methyl (6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate |
| Molecular Weight: | 438.54 |
| Molecular Formula: | C18 H18 N2 O5 S3 |
| Smiles: | COC(CN1C(CSc2ccc(cc12)S(Nc1cccc(c1)SC)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6997 |
| logD: | 2.6628 |
| logSw: | -3.3244 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.119 |
| InChI Key: | CMIQMCAGQCGEGV-UHFFFAOYSA-N |