methyl {5-[(4-bromophenyl)methoxy]-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {5-[(4-bromophenyl)methoxy]-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {5-[(4-bromophenyl)methoxy]-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y042-9206 |
| Compound Name: | methyl {5-[(4-bromophenyl)methoxy]-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 431.28 |
| Molecular Formula: | C21 H19 Br O5 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(C)cc(c12)OCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.0905 |
| logD: | 5.0905 |
| logSw: | -5.234 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.053 |
| InChI Key: | ZJJNWRNGMOXHCB-UHFFFAOYSA-N |