methyl 3-(6-{[(4-fluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(3,4,5-trimethoxyphenyl)propanoate
Chemical Structure Depiction of
methyl 3-(6-{[(4-fluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(3,4,5-trimethoxyphenyl)propanoate
methyl 3-(6-{[(4-fluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(3,4,5-trimethoxyphenyl)propanoate
Compound characteristics
| Compound ID: | 8020-7428 |
| Compound Name: | methyl 3-(6-{[(4-fluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(3,4,5-trimethoxyphenyl)propanoate |
| Molecular Weight: | 504.53 |
| Molecular Formula: | C25 H25 F O8 S |
| Smiles: | COC(CC(C1=C(C(C=C(CSc2ccc(cc2)F)O1)=O)O)c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5978 |
| logD: | 3.5071 |
| logSw: | -3.9264 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.735 |
| InChI Key: | CXJCXWRLBCUCML-SFHVURJKSA-N |