dimethyl 5-[(4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carbonyl)amino]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[(4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carbonyl)amino]benzene-1,3-dicarboxylate
dimethyl 5-[(4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carbonyl)amino]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | E213-1424 |
| Compound Name: | dimethyl 5-[(4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carbonyl)amino]benzene-1,3-dicarboxylate |
| Molecular Weight: | 399.42 |
| Molecular Formula: | C20 H17 N O6 S |
| Smiles: | COC(c1cc(cc(c1)NC(c1cccc2C(CCSc12)=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5197 |
| logD: | 3.5178 |
| logSw: | -3.8797 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.846 |
| InChI Key: | STPPQQBYVOJNDR-UHFFFAOYSA-N |