methyl 3-(3-hydroxy-6-{[(4-methoxyphenyl)sulfanyl]methyl}-4-oxo-4H-pyran-2-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanoate
Chemical Structure Depiction of
methyl 3-(3-hydroxy-6-{[(4-methoxyphenyl)sulfanyl]methyl}-4-oxo-4H-pyran-2-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanoate
methyl 3-(3-hydroxy-6-{[(4-methoxyphenyl)sulfanyl]methyl}-4-oxo-4H-pyran-2-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanoate
Compound characteristics
Compound ID: | 8020-7445 |
Compound Name: | methyl 3-(3-hydroxy-6-{[(4-methoxyphenyl)sulfanyl]methyl}-4-oxo-4H-pyran-2-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanoate |
Molecular Weight: | 500.52 |
Molecular Formula: | C25 H24 O9 S |
Smiles: | COC(CC(C1=C(C(C=C(CSc2ccc(cc2)OC)O1)=O)O)c1cc(c2c(c1)OCO2)OC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.6996 |
logD: | 3.6089 |
logSw: | -4.135 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 89.731 |
InChI Key: | FCPMZAPBVBMHPR-SFHVURJKSA-N |