methyl 3-(6-{[(4-chlorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)propanoate
Chemical Structure Depiction of
methyl 3-(6-{[(4-chlorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)propanoate
methyl 3-(6-{[(4-chlorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)propanoate
Compound characteristics
| Compound ID: | 8020-7438 |
| Compound Name: | methyl 3-(6-{[(4-chlorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)propanoate |
| Molecular Weight: | 534.97 |
| Molecular Formula: | C25 H23 Cl O9 S |
| Smiles: | COC(CC(C1=C(C(C=C(CSc2ccc(cc2)[Cl])O1)=O)O)c1cc(c2c(c1OC)OCO2)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9563 |
| logD: | 3.8656 |
| logSw: | -4.1607 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.588 |
| InChI Key: | FVMNAZJFYMEJIR-KRWDZBQOSA-N |