dimethyl 2-{[(6-hydroxy-2-oxo-7-phenyl-2H-1-benzopyran-4-yl)methyl]amino}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{[(6-hydroxy-2-oxo-7-phenyl-2H-1-benzopyran-4-yl)methyl]amino}benzene-1,4-dicarboxylate
dimethyl 2-{[(6-hydroxy-2-oxo-7-phenyl-2H-1-benzopyran-4-yl)methyl]amino}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | Y041-2642 |
| Compound Name: | dimethyl 2-{[(6-hydroxy-2-oxo-7-phenyl-2H-1-benzopyran-4-yl)methyl]amino}benzene-1,4-dicarboxylate |
| Molecular Weight: | 459.45 |
| Molecular Formula: | C26 H21 N O7 |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NCC1=CC(=O)Oc2cc(c3ccccc3)c(cc12)O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4438 |
| logD: | 5.4414 |
| logSw: | -5.2775 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.807 |
| InChI Key: | UDGGAUIMZJSEMH-UHFFFAOYSA-N |