dimethyl 5-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzene-1,3-dicarboxylate
dimethyl 5-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K219-1172 |
| Compound Name: | dimethyl 5-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzene-1,3-dicarboxylate |
| Molecular Weight: | 460.24 |
| Molecular Formula: | C20 H14 Br N O7 |
| Smiles: | COC(c1cc(cc(c1)NC(C1=Cc2cc(ccc2OC1=O)[Br])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1059 |
| logD: | 4.0872 |
| logSw: | -4.5556 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.599 |
| InChI Key: | DRFIHYIEJJHHGQ-UHFFFAOYSA-N |