dimethyl 2-[(1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[(1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]benzene-1,4-dicarboxylate
dimethyl 2-[(1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | D443-2417 |
| Compound Name: | dimethyl 2-[(1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]benzene-1,4-dicarboxylate |
| Molecular Weight: | 397.4 |
| Molecular Formula: | C20 H15 N O6 S |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(C1=Cc2ccccc2C(=O)S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6199 |
| logD: | 3.3931 |
| logSw: | -3.9127 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.973 |
| InChI Key: | YVOIZESFONRASN-UHFFFAOYSA-N |