methyl (6-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate
Chemical Structure Depiction of
methyl (6-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate
methyl (6-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate
Compound characteristics
| Compound ID: | E786-1120 |
| Compound Name: | methyl (6-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate |
| Molecular Weight: | 450.49 |
| Molecular Formula: | C19 H18 N2 O7 S2 |
| Smiles: | COC(CN1C(CSc2ccc(cc12)S(NCc1ccc2c(c1)OCO2)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.113 |
| logD: | 2.1129 |
| logSw: | -2.956 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.343 |
| InChI Key: | YWBHWMVNRHZGAQ-UHFFFAOYSA-N |