2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
Compound characteristics
Compound ID: | D585-0149 |
Compound Name: | 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one |
Molecular Weight: | 371.42 |
Molecular Formula: | C16 H17 N7 O2 S |
Smiles: | C1CN(CCN1C(CSc1nc(c2c(n1)[nH]cn2)O)=O)c1ccccn1 |
Stereo: | ACHIRAL |
logP: | 0.6864 |
logD: | 0.147 |
logSw: | -1.9819 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 85.011 |
InChI Key: | LZBRNRDXBUEFFB-UHFFFAOYSA-N |