methyl 3-(6-{[(4-chlorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(pyridin-3-yl)propanoate
Chemical Structure Depiction of
methyl 3-(6-{[(4-chlorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(pyridin-3-yl)propanoate
methyl 3-(6-{[(4-chlorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(pyridin-3-yl)propanoate
Compound characteristics
| Compound ID: | 8020-7434 |
| Compound Name: | methyl 3-(6-{[(4-chlorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(pyridin-3-yl)propanoate |
| Molecular Weight: | 431.89 |
| Molecular Formula: | C21 H18 Cl N O5 S |
| Smiles: | COC(CC(C1=C(C(C=C(CSc2ccc(cc2)[Cl])O1)=O)O)c1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2698 |
| logD: | 3.1727 |
| logSw: | -3.7011 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.275 |
| InChI Key: | GSHYWTVQEMPFSL-KRWDZBQOSA-N |