1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | D585-0060 |
| Compound Name: | 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C17 H17 F N6 O2 S |
| Smiles: | C1CN(CCN1C(CSc1nc(c2c(n1)[nH]cn2)O)=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 1.1694 |
| logD: | 0.63 |
| logSw: | -2.1278 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.5 |
| InChI Key: | VCMCJCGBLJTANE-UHFFFAOYSA-N |