methyl 4-({[6-chloro-4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[6-chloro-4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}methyl)benzoate
methyl 4-({[6-chloro-4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}methyl)benzoate
Compound characteristics
| Compound ID: | Y040-4198 |
| Compound Name: | methyl 4-({[6-chloro-4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}methyl)benzoate |
| Molecular Weight: | 450.87 |
| Molecular Formula: | C25 H19 Cl O6 |
| Smiles: | COC(c1ccc(COc2cc3c(cc2[Cl])C(=CC(=O)O3)c2ccc(cc2)OC)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6718 |
| logD: | 5.6718 |
| logSw: | -6.0466 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.406 |
| InChI Key: | BJJTXYJEUPFVOZ-UHFFFAOYSA-N |