ethyl 3-{7-[(4-bromophenyl)methoxy]-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoate
Chemical Structure Depiction of
ethyl 3-{7-[(4-bromophenyl)methoxy]-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoate
ethyl 3-{7-[(4-bromophenyl)methoxy]-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoate
Compound characteristics
| Compound ID: | Y040-7888 |
| Compound Name: | ethyl 3-{7-[(4-bromophenyl)methoxy]-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoate |
| Molecular Weight: | 479.75 |
| Molecular Formula: | C22 H20 Br Cl O5 |
| Smiles: | CCOC(CCC1=C(C)c2cc(c(cc2OC1=O)OCc1ccc(cc1)[Br])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.2813 |
| logD: | 6.2813 |
| logSw: | -6.2081 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.633 |
| InChI Key: | MLPHWGSYZUIEPH-UHFFFAOYSA-N |