3-[(2-chlorophenyl)methyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}pteridin-4(3H)-one
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}pteridin-4(3H)-one
3-[(2-chlorophenyl)methyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}pteridin-4(3H)-one
Compound characteristics
| Compound ID: | E196-0053 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}pteridin-4(3H)-one |
| Molecular Weight: | 412.87 |
| Molecular Formula: | C20 H14 Cl F N4 O S |
| Smiles: | C(c1ccccc1[Cl])N1C(=Nc2c(C1=O)nccn2)SCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.9048 |
| logD: | 3.9048 |
| logSw: | -4.1689 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.304 |
| InChI Key: | OIEQMHSBESNGAO-UHFFFAOYSA-N |