methyl 6-bromo-4-[1-(4-methylphenyl)-1-oxobutan-2-yl]-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-bromo-4-[1-(4-methylphenyl)-1-oxobutan-2-yl]-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylate
methyl 6-bromo-4-[1-(4-methylphenyl)-1-oxobutan-2-yl]-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 8014-9104 |
| Compound Name: | methyl 6-bromo-4-[1-(4-methylphenyl)-1-oxobutan-2-yl]-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 445.31 |
| Molecular Formula: | C22 H21 Br O5 |
| Smiles: | CCC(C1C(C(=O)OC)C(=O)Oc2ccc(cc12)[Br])C(c1ccc(C)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.677 |
| logD: | 4.6471 |
| logSw: | -4.6383 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.801 |
| InChI Key: | NNCHOCPXJJOWSP-UHFFFAOYSA-N |