1-(3-{[(5-benzyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-(3-{[(5-benzyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethan-1-one
1-(3-{[(5-benzyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 6026-0098 |
| Compound Name: | 1-(3-{[(5-benzyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 396.46 |
| Molecular Formula: | C21 H20 N2 O4 S |
| Smiles: | CC(c1ccc(c(CSc2nc(c(Cc3ccccc3)c(n2)O)O)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3866 |
| logD: | 3.3315 |
| logSw: | -3.7667 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.366 |
| InChI Key: | KPGPSQKKXVKGTN-UHFFFAOYSA-N |