methyl 3-(6-{[(4-fluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(3-hydroxy-4-methoxyphenyl)propanoate
Chemical Structure Depiction of
methyl 3-(6-{[(4-fluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(3-hydroxy-4-methoxyphenyl)propanoate
methyl 3-(6-{[(4-fluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(3-hydroxy-4-methoxyphenyl)propanoate
Compound characteristics
| Compound ID: | 8020-7427 |
| Compound Name: | methyl 3-(6-{[(4-fluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(3-hydroxy-4-methoxyphenyl)propanoate |
| Molecular Weight: | 460.48 |
| Molecular Formula: | C23 H21 F O7 S |
| Smiles: | COC(CC(C1=C(C(C=C(CSc2ccc(cc2)F)O1)=O)O)c1ccc(c(c1)O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2763 |
| logD: | 3.1856 |
| logSw: | -3.1962 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.935 |
| InChI Key: | OBEIWJGZRRDGKQ-KRWDZBQOSA-N |