methyl 3-(6-{[(4-bromophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(3,4-difluorophenyl)propanoate
Chemical Structure Depiction of
methyl 3-(6-{[(4-bromophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(3,4-difluorophenyl)propanoate
methyl 3-(6-{[(4-bromophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(3,4-difluorophenyl)propanoate
Compound characteristics
| Compound ID: | 8020-7437 |
| Compound Name: | methyl 3-(6-{[(4-bromophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(3,4-difluorophenyl)propanoate |
| Molecular Weight: | 511.34 |
| Molecular Formula: | C22 H17 Br F2 O5 S |
| Smiles: | COC(CC(C1=C(C(C=C(CSc2ccc(cc2)[Br])O1)=O)O)c1ccc(c(c1)F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1263 |
| logD: | 5.0356 |
| logSw: | -5.0058 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.757 |
| InChI Key: | GRJWEBYZJQZIJP-INIZCTEOSA-N |