1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | D585-0148 |
| Compound Name: | 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 404.88 |
| Molecular Formula: | C17 H17 Cl N6 O2 S |
| Smiles: | C1CN(CCN1C(CSc1nc(c2c(n1)[nH]cn2)O)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.6024 |
| logD: | 1.063 |
| logSw: | -2.5372 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.5 |
| InChI Key: | QJVXUIQSUKUDRT-UHFFFAOYSA-N |