1-(4-butoxy-3-{[4,6-dihydroxy-2-(methylsulfanyl)pyrimidin-5-yl]methyl}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(4-butoxy-3-{[4,6-dihydroxy-2-(methylsulfanyl)pyrimidin-5-yl]methyl}phenyl)ethan-1-one
1-(4-butoxy-3-{[4,6-dihydroxy-2-(methylsulfanyl)pyrimidin-5-yl]methyl}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | 3836-0075 |
| Compound Name: | 1-(4-butoxy-3-{[4,6-dihydroxy-2-(methylsulfanyl)pyrimidin-5-yl]methyl}phenyl)ethan-1-one |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C18 H22 N2 O4 S |
| Smiles: | CCCCOc1ccc(cc1Cc1c(nc(nc1O)SC)O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3435 |
| logD: | 3.2425 |
| logSw: | -3.3631 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.512 |
| InChI Key: | KQJBUAUGUPWWCZ-UHFFFAOYSA-N |