dimethyl 5-[(6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[(6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzene-1,3-dicarboxylate
dimethyl 5-[(6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K219-1048 |
| Compound Name: | dimethyl 5-[(6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzene-1,3-dicarboxylate |
| Molecular Weight: | 426.34 |
| Molecular Formula: | C20 H14 N2 O9 |
| Smiles: | COC(c1cc(cc(c1)NC(C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3316 |
| logD: | 3.3129 |
| logSw: | -3.828 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.98 |
| InChI Key: | JFFLYRUUHNUMIX-UHFFFAOYSA-N |