1-(4-fluorophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-fluorophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
1-(4-fluorophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | D585-0234 |
| Compound Name: | 1-(4-fluorophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 304.3 |
| Molecular Formula: | C13 H9 F N4 O2 S |
| Smiles: | C(C(c1ccc(cc1)F)=O)Sc1nc(c2c(n1)[nH]cn2)O |
| Stereo: | ACHIRAL |
| logP: | 1.2769 |
| logD: | 0.7375 |
| logSw: | -2.1219 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.094 |
| InChI Key: | YYDZQWPGEPNINP-UHFFFAOYSA-N |