3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}pteridin-4(3H)-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}pteridin-4(3H)-one
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}pteridin-4(3H)-one
Compound characteristics
| Compound ID: | E196-0278 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}pteridin-4(3H)-one |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C23 H21 F N4 O3 S |
| Smiles: | COc1ccc(CCN2C(=Nc3c(C2=O)nccn3)SCc2cccc(c2)F)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.4077 |
| logD: | 3.4077 |
| logSw: | -3.7097 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.543 |
| InChI Key: | FBVIYUPYCDHJRO-UHFFFAOYSA-N |