methyl 3-(6-{[(4-chlorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(4-methoxyphenyl)propanoate
Chemical Structure Depiction of
methyl 3-(6-{[(4-chlorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(4-methoxyphenyl)propanoate
methyl 3-(6-{[(4-chlorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(4-methoxyphenyl)propanoate
Compound characteristics
| Compound ID: | 8020-7433 |
| Compound Name: | methyl 3-(6-{[(4-chlorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(4-methoxyphenyl)propanoate |
| Molecular Weight: | 460.93 |
| Molecular Formula: | C23 H21 Cl O6 S |
| Smiles: | COC(CC(C1=C(C(C=C(CSc2ccc(cc2)[Cl])O1)=O)O)c1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3792 |
| logD: | 4.2886 |
| logSw: | -4.6646 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.301 |
| InChI Key: | MVMMRYSTRDPXDX-IBGZPJMESA-N |