methyl 6,8-dibromo-4-[1-(4-chlorophenyl)-1-oxobutan-2-yl]-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 6,8-dibromo-4-[1-(4-chlorophenyl)-1-oxobutan-2-yl]-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylate
methyl 6,8-dibromo-4-[1-(4-chlorophenyl)-1-oxobutan-2-yl]-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 8014-7440 |
| Compound Name: | methyl 6,8-dibromo-4-[1-(4-chlorophenyl)-1-oxobutan-2-yl]-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 544.62 |
| Molecular Formula: | C21 H17 Br2 Cl O5 |
| Smiles: | CCC(C1C(C(=O)OC)C(=O)Oc2c1cc(cc2[Br])[Br])C(c1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8906 |
| logD: | 5.8407 |
| logSw: | -6.1711 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.485 |
| InChI Key: | RVYLLZUZMJKCDH-UHFFFAOYSA-N |