methyl {5-[2-(4-fluorophenyl)-2-oxoethoxy]-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {5-[2-(4-fluorophenyl)-2-oxoethoxy]-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {5-[2-(4-fluorophenyl)-2-oxoethoxy]-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y042-9204 |
| Compound Name: | methyl {5-[2-(4-fluorophenyl)-2-oxoethoxy]-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 398.39 |
| Molecular Formula: | C22 H19 F O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(C)cc(c12)OCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6992 |
| logD: | 3.6992 |
| logSw: | -4.3236 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.3 |
| InChI Key: | VKDWFNRRSTXFEH-UHFFFAOYSA-N |