methyl 3-(2H-1,3-benzodioxol-5-yl)-3-(6-{[(4-fluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)propanoate
Chemical Structure Depiction of
methyl 3-(2H-1,3-benzodioxol-5-yl)-3-(6-{[(4-fluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)propanoate
methyl 3-(2H-1,3-benzodioxol-5-yl)-3-(6-{[(4-fluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)propanoate
Compound characteristics
| Compound ID: | 8020-7431 |
| Compound Name: | methyl 3-(2H-1,3-benzodioxol-5-yl)-3-(6-{[(4-fluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)propanoate |
| Molecular Weight: | 458.46 |
| Molecular Formula: | C23 H19 F O7 S |
| Smiles: | COC(CC(C1=C(C(C=C(CSc2ccc(cc2)F)O1)=O)O)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8287 |
| logD: | 3.738 |
| logSw: | -4.0873 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.872 |
| InChI Key: | MXJBWUVNAQXDAY-KRWDZBQOSA-N |