3-benzoyl-6-bromo-4-[1-(4-methylphenyl)-1-oxopropan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzoyl-6-bromo-4-[1-(4-methylphenyl)-1-oxopropan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-one
3-benzoyl-6-bromo-4-[1-(4-methylphenyl)-1-oxopropan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 6541-0197 |
| Compound Name: | 3-benzoyl-6-bromo-4-[1-(4-methylphenyl)-1-oxopropan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-one |
| Molecular Weight: | 477.35 |
| Molecular Formula: | C26 H21 Br O4 |
| Smiles: | CC(C1C(C(c2ccccc2)=O)C(=O)Oc2ccc(cc12)[Br])C(c1ccc(C)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4428 |
| logD: | 4.2791 |
| logSw: | -5.6098 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.094 |
| InChI Key: | WFAVJZATFYOORT-UHFFFAOYSA-N |