methyl 3-(3-bromo-4-fluorophenyl)-3-(6-{[(4-chlorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)propanoate
Chemical Structure Depiction of
methyl 3-(3-bromo-4-fluorophenyl)-3-(6-{[(4-chlorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)propanoate
methyl 3-(3-bromo-4-fluorophenyl)-3-(6-{[(4-chlorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)propanoate
Compound characteristics
| Compound ID: | 8020-7432 |
| Compound Name: | methyl 3-(3-bromo-4-fluorophenyl)-3-(6-{[(4-chlorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)propanoate |
| Molecular Weight: | 527.79 |
| Molecular Formula: | C22 H17 Br Cl F O5 S |
| Smiles: | COC(CC(C1=C(C(C=C(CSc2ccc(cc2)[Cl])O1)=O)O)c1ccc(c(c1)[Br])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0741 |
| logD: | 4.9834 |
| logSw: | -5.184 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.757 |
| InChI Key: | SQYJXKIAMNSHAS-INIZCTEOSA-N |