methyl {7-[2-([1,1'-biphenyl]-4-yl)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {7-[2-([1,1'-biphenyl]-4-yl)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {7-[2-([1,1'-biphenyl]-4-yl)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-2601 |
| Compound Name: | methyl {7-[2-([1,1'-biphenyl]-4-yl)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C27 H22 O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(ccc12)OCC(c1ccc(cc1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6252 |
| logD: | 4.6252 |
| logSw: | -4.7578 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.942 |
| InChI Key: | VRYGEFWOAVYKPT-UHFFFAOYSA-N |