1-(4-benzylpiperidin-1-yl)-2-[(9H-purin-6-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-benzylpiperidin-1-yl)-2-[(9H-purin-6-yl)sulfanyl]ethan-1-one
1-(4-benzylpiperidin-1-yl)-2-[(9H-purin-6-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | D691-0116 |
| Compound Name: | 1-(4-benzylpiperidin-1-yl)-2-[(9H-purin-6-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C19 H21 N5 O S |
| Smiles: | C1CN(CCC1Cc1ccccc1)C(CSc1c2c(ncn1)[nH]cn2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6807 |
| logD: | 2.6805 |
| logSw: | -2.9389 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.656 |
| InChI Key: | YYIUQJWHKBNFMW-UHFFFAOYSA-N |