methyl {7-[2-(4-bromophenyl)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {7-[2-(4-bromophenyl)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {7-[2-(4-bromophenyl)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y042-8366 |
| Compound Name: | methyl {7-[2-(4-bromophenyl)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 445.27 |
| Molecular Formula: | C21 H17 Br O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(ccc12)OCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7403 |
| logD: | 3.7403 |
| logSw: | -4.2077 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.214 |
| InChI Key: | QUPTWAFBHZFWEG-UHFFFAOYSA-N |