methyl 2-(6-chloro-7-methoxy-2-oxo-2H-1-benzopyran-4-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanoate
Chemical Structure Depiction of
methyl 2-(6-chloro-7-methoxy-2-oxo-2H-1-benzopyran-4-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanoate
methyl 2-(6-chloro-7-methoxy-2-oxo-2H-1-benzopyran-4-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanoate
Compound characteristics
| Compound ID: | Y041-4758 |
| Compound Name: | methyl 2-(6-chloro-7-methoxy-2-oxo-2H-1-benzopyran-4-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanoate |
| Molecular Weight: | 460.87 |
| Molecular Formula: | C23 H21 Cl O8 |
| Smiles: | COC(C(CC(c1ccc(c(c1)OC)OC)=O)C1=CC(=O)Oc2cc(c(cc12)[Cl])OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7206 |
| logD: | 3.7206 |
| logSw: | -4.2479 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.686 |
| InChI Key: | KISORVIWKJIYHD-OAHLLOKOSA-N |