2-{[(4-fluorophenyl)methyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-fluorophenyl)methyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
2-{[(4-fluorophenyl)methyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3992-1019 |
| Compound Name: | 2-{[(4-fluorophenyl)methyl]sulfanyl}-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 250.29 |
| Molecular Formula: | C12 H11 F N2 O S |
| Smiles: | CC1=CC(NC(=N1)SCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7573 |
| logD: | 1.2066 |
| logSw: | -2.455 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.3 |
| InChI Key: | BFXAGDFZGBTWHY-UHFFFAOYSA-N |