1-(4-benzylpiperazin-1-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-benzylpiperazin-1-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
1-(4-benzylpiperazin-1-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | D585-0150 |
| Compound Name: | 1-(4-benzylpiperazin-1-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 384.46 |
| Molecular Formula: | C18 H20 N6 O2 S |
| Smiles: | C1CN(CCN1Cc1ccccc1)C(CSc1nc(c2c(n1)[nH]cn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6999 |
| logD: | 0.1604 |
| logSw: | -2.0334 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.78 |
| InChI Key: | URNQVWRDZFXFDT-UHFFFAOYSA-N |