methyl 6-bromo-4-[1-(4-bromophenyl)-3-methyl-1-oxobutan-2-yl]-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-bromo-4-[1-(4-bromophenyl)-3-methyl-1-oxobutan-2-yl]-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylate
methyl 6-bromo-4-[1-(4-bromophenyl)-3-methyl-1-oxobutan-2-yl]-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 8014-8009 |
| Compound Name: | methyl 6-bromo-4-[1-(4-bromophenyl)-3-methyl-1-oxobutan-2-yl]-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 524.2 |
| Molecular Formula: | C22 H20 Br2 O5 |
| Smiles: | CC(C)C(C1C(C(=O)OC)C(=O)Oc2ccc(cc12)[Br])C(c1ccc(cc1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5025 |
| logD: | 5.4874 |
| logSw: | -5.6176 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.801 |
| InChI Key: | ZGPGPKKNZBDETJ-UHFFFAOYSA-N |