1-(3-{[2-(benzylsulfanyl)-4,6-dihydroxypyrimidin-5-yl]methyl}-4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-(3-{[2-(benzylsulfanyl)-4,6-dihydroxypyrimidin-5-yl]methyl}-4-methoxyphenyl)ethan-1-one
1-(3-{[2-(benzylsulfanyl)-4,6-dihydroxypyrimidin-5-yl]methyl}-4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 4055-0303 |
| Compound Name: | 1-(3-{[2-(benzylsulfanyl)-4,6-dihydroxypyrimidin-5-yl]methyl}-4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 396.46 |
| Molecular Formula: | C21 H20 N2 O4 S |
| Smiles: | CC(c1ccc(c(Cc2c(nc(nc2O)SCc2ccccc2)O)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0402 |
| logD: | 2.9851 |
| logSw: | -3.2286 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.366 |
| InChI Key: | ZLGZMCKCBGFSJJ-UHFFFAOYSA-N |