2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]butan-1-one
Chemical Structure Depiction of
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]butan-1-one
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]butan-1-one
Compound characteristics
| Compound ID: | D585-0555 |
| Compound Name: | 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]butan-1-one |
| Molecular Weight: | 400.46 |
| Molecular Formula: | C17 H20 N8 O2 S |
| Smiles: | CCC(C(N1CCN(CC1)c1ncccn1)=O)Sc1nc(c2c(n1)[nH]cn2)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3257 |
| logD: | 0.7863 |
| logSw: | -2.1772 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.389 |
| InChI Key: | RORVCQFFEBMOKB-NSHDSACASA-N |