1-(3-{[2-(benzylsulfanyl)-4,6-dihydroxypyrimidin-5-yl]methyl}-4-ethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-(3-{[2-(benzylsulfanyl)-4,6-dihydroxypyrimidin-5-yl]methyl}-4-ethoxyphenyl)ethan-1-one
1-(3-{[2-(benzylsulfanyl)-4,6-dihydroxypyrimidin-5-yl]methyl}-4-ethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 3966-4861 |
| Compound Name: | 1-(3-{[2-(benzylsulfanyl)-4,6-dihydroxypyrimidin-5-yl]methyl}-4-ethoxyphenyl)ethan-1-one |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C22 H22 N2 O4 S |
| Smiles: | CCOc1ccc(cc1Cc1c(nc(nc1O)SCc1ccccc1)O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4283 |
| logD: | 3.3732 |
| logSw: | -3.6979 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.946 |
| InChI Key: | JESJDLQXUJDYNX-UHFFFAOYSA-N |