ethyl 2-{[3-(4-bromophenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl]oxy}propanoate
Chemical Structure Depiction of
ethyl 2-{[3-(4-bromophenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl]oxy}propanoate
ethyl 2-{[3-(4-bromophenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl]oxy}propanoate
Compound characteristics
| Compound ID: | G856-6252 |
| Compound Name: | ethyl 2-{[3-(4-bromophenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl]oxy}propanoate |
| Molecular Weight: | 431.28 |
| Molecular Formula: | C21 H19 Br O5 |
| Smiles: | CCOC(C(C)Oc1ccc2c(c1)C(C)=C(C(=O)O2)c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8831 |
| logD: | 4.8831 |
| logSw: | -4.6533 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.431 |
| InChI Key: | ONIAAMBJPDTGAT-ZDUSSCGKSA-N |