methyl 3-(2H-1,3-benzodioxol-5-yl)-3-(6-{[(2,4-difluorophenyl)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-{[(2,4-difluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)propanoate
methyl 3-(2H-1,3-benzodioxol-5-yl)-3-(6-{[(2,4-difluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)propanoate
Compound characteristics
| Compound ID: | 8020-7451 |
| Compound Name: | methyl 3-(2H-1,3-benzodioxol-5-yl)-3-(6-{[(2,4-difluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)propanoate |
| Molecular Weight: | 476.45 |
| Molecular Formula: | C23 H18 F2 O7 S |
| Smiles: | COC(CC(C1=C(C(C=C(CSc2ccc(cc2F)F)O1)=O)O)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8474 |
| logD: | 3.7567 |
| logSw: | -4.0602 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.872 |
| InChI Key: | OKNQOOPPCSGZIZ-HNNXBMFYSA-N |