2-{[(3-fluorophenyl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]pteridin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-fluorophenyl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]pteridin-4(3H)-one
2-{[(3-fluorophenyl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]pteridin-4(3H)-one
Compound characteristics
| Compound ID: | E196-0075 |
| Compound Name: | 2-{[(3-fluorophenyl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]pteridin-4(3H)-one |
| Molecular Weight: | 408.45 |
| Molecular Formula: | C21 H17 F N4 O2 S |
| Smiles: | COc1ccc(CN2C(=Nc3c(C2=O)nccn3)SCc2cccc(c2)F)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7739 |
| logD: | 3.7739 |
| logSw: | -4.0003 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.847 |
| InChI Key: | LGTJOPMIKOQUEL-UHFFFAOYSA-N |