dimethyl 5-[(8-methyl-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carbonyl)amino]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[(8-methyl-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carbonyl)amino]benzene-1,3-dicarboxylate
dimethyl 5-[(8-methyl-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carbonyl)amino]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C593-1280 |
| Compound Name: | dimethyl 5-[(8-methyl-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carbonyl)amino]benzene-1,3-dicarboxylate |
| Molecular Weight: | 451.45 |
| Molecular Formula: | C23 H17 N O7 S |
| Smiles: | Cc1ccc2c(c1)c1c(cc(C(Nc3cc(cc(c3)C(=O)OC)C(=O)OC)=O)s1)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 5.2301 |
| logD: | 5.23 |
| logSw: | -5.188 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.346 |
| InChI Key: | ONQJMDFMBVOJLA-UHFFFAOYSA-N |