methyl 4-[1-(6-{[(2,4-difluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-methoxy-3-oxopropyl]benzoate
Chemical Structure Depiction of
methyl 4-[1-(6-{[(2,4-difluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-methoxy-3-oxopropyl]benzoate
methyl 4-[1-(6-{[(2,4-difluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-methoxy-3-oxopropyl]benzoate
Compound characteristics
| Compound ID: | 8020-7441 |
| Compound Name: | methyl 4-[1-(6-{[(2,4-difluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-methoxy-3-oxopropyl]benzoate |
| Molecular Weight: | 490.48 |
| Molecular Formula: | C24 H20 F2 O7 S |
| Smiles: | COC(CC(C1=C(C(C=C(CSc2ccc(cc2F)F)O1)=O)O)c1ccc(cc1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9406 |
| logD: | 3.85 |
| logSw: | -4.1421 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.931 |
| InChI Key: | ROVPZEPJTDZXEI-KRWDZBQOSA-N |