methyl {7-[(3-bromophenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {7-[(3-bromophenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {7-[(3-bromophenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-2616 |
| Compound Name: | methyl {7-[(3-bromophenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 417.25 |
| Molecular Formula: | C20 H17 Br O5 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(ccc12)OCc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.2538 |
| logD: | 4.2538 |
| logSw: | -4.7302 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.967 |
| InChI Key: | NKMIXKFQCRIHQQ-UHFFFAOYSA-N |